SCHEMBL16885091

SCHEMBL16885091

CCSc1ccccc1-c1nc(C)c2ccc(C)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ELANE P08246 2/20 0.36
▸ GRM2 Q14416 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL16885088 0.87 CYP1A1 (0.43) LMNANPC1ATMELANEGRM2
SCHEMBL16885078 0.87 NPC1 (0.38) LMNAALDH1A1NPC1ATMELANE
SCHEMBL16885076 0.87 GRM2 (0.39) LMNANPC1ATMELANEGRM2
SCHEMBL16872716 0.84 DDR1 (0.38) LMNAALDH1A1NPC1ATMMAPT
SCHEMBL16885101 0.82 PDE5A (0.48) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16885086 0.80 NPC1 (0.40) LMNAALDH1A1NPC1ATMELANE
SCHEMBL16885077 0.75 GUSB (0.46) LMNAALDH1A1NPC1MAPTKMT2A
SCHEMBL16885124 0.75 NPC1 (0.36) ALDH1A1NPC1ATMADORA3SMN1; SMN2
SCHEMBL16885128 0.75 NPC1 (0.42) LMNAALDH1A1NPC1ATMADORA3
SCHEMBL16885097 0.75 MAPT (0.49) ALDH1A1NPC1ATMELANEADORA3

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 LMNA 2416/4885ALDH1A1 2549/4885NPC1 769/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 LMNA 2032/4885ALDH1A1 2907/4885NPC1 2337/4885

“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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