SCHEMBL16885087

SCHEMBL16885087

CCS(=O)(=O)c1ccccc1-c1ncc2ccc(C)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ALOX5AP P20292 4/20 0.39
▸ FEN1 P39748 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATR Q13535 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL16885099 0.84 CYP1A2 (0.40) USP1ALOX5APFEN1RAB9AMAPT
SCHEMBL16666266 0.84 DDR1 (0.44) USP1ALOX5APFEN1
SCHEMBL16885086 0.75 NPC1 (0.40) ESR1ALOX5APFEN1ATRALDH1A1
SCHEMBL16872708 0.74 USP1 (0.42) USP1ALOX5APFEN1MAPTALDH1A1
SCHEMBL16885090 0.74 PDE5A (0.47) ALDH1A1CYP1A2
SCHEMBL15426362 0.73 KDM4E (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15426342 0.73 NLRP3 (0.45) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15426370 0.73 SMN1; SMN2 (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL19525379 0.73 ESR1 (0.36) USP1ESR1RAB9AMAPTSMN1; SMN2
SCHEMBL17689696 0.72 NPC1 (0.51) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328121-B1 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-03 — — US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 — — US disclosed
US-9260436-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 — — US disclosed
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-09 — — 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-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 USP1 2651/4885ESR1 114/4885ALOX5AP 1753/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 USP1 2314/4885ESR1 213/4885ALOX5AP 2352/4885

“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.

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