SCHEMBL275567

SCHEMBL275567

[c]1cc2cccnc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
CASP1 P29466 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL275923 0.83 ALDH1A1 (0.46) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL25164 0.76 MAPT (0.55) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL24520 0.73 CCR1 (0.52) ALDH1A1NPC1CYP3A4KDM4EHTT
SCHEMBL17511860 0.72 MAPT (0.55) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL131542 0.71 ALDH1A1 (0.52) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL3936146 0.71
SCHEMBL9196 0.70 MAPT (0.36) ALDH1A1KDM4EMAPTHSP90AA1CYP1A2
SCHEMBL3941104 0.70
SCHEMBL24690 0.69 CCR1 (0.52) ALDH1A1CYP3A4KDM4EHTTMAPT
SCHEMBL29683629 0.69 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN claimed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO claimed
EP-2897618-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2021-11-17 EP claimed
US-10457641-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-10-29 US claimed
US-20170334859-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-11-23 US claimed
US-9688635-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-06-27 US claimed
US-20150246885-A1 CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-09-03 US claimed
EP-2897618-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2015-07-29 EP claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP claimed
EP-0385663-B1 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO claimed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP claimed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 ALDH1A1 4711/4885NPC1 545/4885POLB 3627/4885
US-10457641-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 ALDH1A1 1767/4885NPC1 1884/4885POLB 1809/4885
US-20150246885-A1 CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS BRAF, AURKC, PLK1 ALDH1A1 1698/4885NPC1 1984/4885POLB 2484/4885
US-20170334859-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ALDH1A1 1767/4885NPC1 1884/4885POLB 1809/4885

“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.