SCHEMBL538831

SCHEMBL538831

CC1(C)OB(c2ccc(CN3CCOCC3)cc2F)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NCF1 P14598 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PDE4B Q07343 1/20 0.42
CYP2A13 Q16696 1/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KCNJ1 P48048 1/20 0.41
BRD4 O60885 1/20 0.40
CCL2 P13500 1/20 0.40
NOS1 P29475 2/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31533274 1.00 HRH3 (0.45) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL20605389 0.90 HRH3 (0.45) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL31464828 0.89 ALDH1A1 (0.55) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL30316025 0.88 ALDH1A1 (0.57) HRH3HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31464835 0.87 CHKA (0.50) HTTNCF1ALDH1A1LMNA
SCHEMBL31464802 0.86 ALDH1A1 (0.41) HRH3HTTALDH1A1BRD4KDM4E
SCHEMBL31464486 0.85 HDAC6 (0.36) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL31464775 0.85 ALDH1A1 (0.40) HTTALDH1A1KDM4E
SCHEMBL19211664 0.85 ALDH1A1 (0.45) HRH3HTTALDH1A1KDM4E
SCHEMBL18259234 0.84 MAPT (0.46) HRH3HTTSMN1; SMN2NCF1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092031-A1 RIPK3 INHIBITORS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2025-03-20 US disclosed
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2024-02-15 US disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 US disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 US disclosed
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2021-11-16 US disclosed
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-08-19 US disclosed
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-08-19 US disclosed
US-10556908-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2020-02-11 US disclosed
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-04-25 US disclosed
US-20190106426-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2019-04-11 US disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 US disclosed
EP-1836169-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS Kinex Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-23 US disclosed
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-23 US disclosed
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-23 US disclosed
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-01-18 US disclosed
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-01-18 US disclosed
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-01-18 US disclosed
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2006-07-20 US disclosed
WO-2006071960-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250092031-A1 RIPK3 INHIBITORS AND METHODS OF USE RIPK3, RIPK1, RIPK2 HRH3 3466/4885HTT 2254/4885SMN1; SMN2 1468/4885
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K6, MAP3K8 HRH3 3097/4885HTT 4512/4885SMN1; SMN2 4641/4885
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 HRH3 1224/4885HTT 3517/4885SMN1; SMN2 1966/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 HRH3 3234/4885HTT 3921/4885SMN1; SMN2 4021/4885
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 HRH3 2541/4885HTT 2775/4885SMN1; SMN2 1980/4885
US-10556908-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors KDM1A, KDM1B, KDM2A HRH3 1273/4885HTT 3261/4885SMN1; SMN2 1672/4885
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals MKI67, PCNA, CCAR2 HRH3 3748/4885HTT 1024/4885SMN1; SMN2 254/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 HRH3 3234/4885HTT 3921/4885SMN1; SMN2 4021/4885
US-20190106426-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM2A, KDM1A HRH3 870/4885HTT 3360/4885SMN1; SMN2 2698/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 HRH3 3234/4885HTT 3921/4885SMN1; SMN2 4021/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 HRH3 3914/4885HTT 857/4885SMN1; SMN2 618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.