SCHEMBL4982973

SCHEMBL4982973

c1ccc2c3c(ccc2c1)N3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP2A6 P11509 5/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
HPRT1 P00492 1/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16254014 0.80 HSD17B10 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29616441 0.80 HSD17B10 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL30929177 0.79 HSD17B10 (0.45) HSD17B10CA12CA1CA2CA4
SCHEMBL18165216 0.75 MAPT (0.59) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL18162295 0.75 TAAR1 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3071035 0.73 HSD17B10 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL31712942 0.73 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4953560 0.73 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15291748 0.73 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL6916412 0.72 BCHE (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
EP-3840647-A1 SENSORS AND METHODS FOR MEASURING PH Abbott Diabetes Care Inc. (US) 2021-06-30 EP disclosed
US-20200060592-A1 SENSORS AND METHODS FOR MEASURING pH ABBOTT DIABETES CARE INC. (US) 2020-02-27 US disclosed
WO-2020040962-A1 SENSORS AND METHODS FOR MEASURING PH ABBOTT DIABETES CARE INC. (US) 2020-02-27 WO disclosed
CN-101300382-A Adhesive mat comprising a fibrous layer of metal and polymer fibers 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 CN disclosed
US-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
EP-0906284-A1 TRICYCLIC AMINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997047602-A1 TRICYCLIC AMINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1997-12-18 WO disclosed
US-4797397-A X-RAYS THERAPY OF TUMORS WARNER-LAMBERT COMPANY (US) 1989-01-10 US 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 (2 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-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, DDC ALDH1A1 119/4885CYP2A6 2594/4885HSD17B10 2740/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 ALDH1A1 1671/4885CYP2A6 4070/4885HSD17B10 2793/4885

“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.