SCHEMBL16885086

SCHEMBL16885086

CCSc1ccccc1-c1ncc2ccc(C)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ATR Q13535 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL16885128 0.84 NPC1 (0.42) NPC1ATMALOX5APFEN1BCHE
SCHEMBL16667011 0.84 ALOX5AP (0.38) NPC1ATMALOX5APFEN1BCHE
SCHEMBL16885091 0.80 LMNA (0.43) NPC1ATMALOX5APFEN1ESR1
SCHEMBL16885076 0.78 GRM2 (0.39) NPC1ATMALOX5APFEN1ELANE
SCHEMBL16885078 0.78 NPC1 (0.38) NPC1ATMALOX5APFEN1ELANE
SCHEMBL16885088 0.78 CYP1A1 (0.43) NPC1ATMELANEATRCYP1A2
SCHEMBL16885081 0.77 ALOX5AP (0.47) NPC1ATMALOX5APFEN1BCHE
SCHEMBL16885124 0.76 NPC1 (0.36) NPC1ATMALOX5APFEN1BCHE
SCHEMBL16885087 0.75 USP1 (0.41) NPC1ALOX5APFEN1ESR1ELANE
SCHEMBL19525379 0.74 ESR1 (0.36) ESR1ALDH1A1CYP1A2NQO2KMT2A

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 NPC1 769/4885ATM 3003/4885ALOX5AP 1753/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 NPC1 2337/4885ATM 3312/4885ALOX5AP 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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