SCHEMBL5883440

SCHEMBL5883440

COc1ccc(N)cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP19A1 P11511 2/20 0.47
USP2 O75604 1/20 0.47
TUBB1 Q9H4B7 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PRKDC P78527 1/20 0.46
HPGD P15428 2/20 0.44
NR4A1 P22736 1/20 0.44
ERN1 O75460 3/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
AOX1 Q06278 1/20 0.43

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
SCHEMBL7242040 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRTDP1CYP19A1
SCHEMBL19002164 0.82 IMPDH2 (0.45) ALDH1A1KDM4ETSHRTDP1CYP19A1
SCHEMBL14609038 0.80 CYP19A1 (0.47) ALDH1A1KDM4ETSHRCYP19A1USP2
SCHEMBL21558455 0.79 KDM4E (0.54) ALDH1A1KDM4ETSHRTDP1USP2
SCHEMBL13258298 0.79 MAPT (0.41) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL7717680 0.78 CYP19A1 (0.43) ALDH1A1KDM4ETSHRCYP19A1USP2
SCHEMBL1662997 0.78 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRTDP1TUBB1
SCHEMBL419596 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1TUBB1
SCHEMBL172939 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRTDP1CYP19A1
SCHEMBL29392394 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRTDP1CYP19A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056352-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-06-06 US claimed
CN-117659025-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-03-08 CN disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 CN disclosed
CN-115677608-A Benzisoxazole-3-formamide compound and synthesis and application thereof 复旦大学 2023-02-03 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 EP disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 WO disclosed
WO-2011084970-A1 ANTI-HEPARIN COMPOUNDS POLYMEDIX INC. (US) 2011-07-14 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 (1 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-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885KDM4E 220/4885TSHR 3676/4885

“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.