SCHEMBL3752115

SCHEMBL3752115

Cc1cc(-c2ccc(C=O)c(Cl)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV3 Q8NET8 1/20 0.40
NPC1 O15118 2/20 0.36
CASP3 P42574 2/20 0.36
RAB9A P51151 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
ATM Q13315 1/20 0.36
HSD17B1 P14061 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
SCHEMBL3752970 0.89 KMO (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL3747547 0.78 MEN1 (0.40) CYP1A2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL21953737 0.76 DAPK3 (0.44) ALDH1A1NPC1RAB9AHSD17B1HSD17B2
SCHEMBL2325020 0.74 HSD17B14 (0.44) MEN1KMT2ATRPV3NPC1CASP3
SCHEMBL3747251 0.73 NOTUM (0.48) CYP1A2CASP3KMOKDR
SCHEMBL3747368 0.72 CASP1 (0.43) ALDH1A1TRPV3
SCHEMBL3745558 0.71 ERN1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL3751766 0.70 KDM1A (0.56) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3745560 0.70 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL31038189 0.70 NPC1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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 (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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 CYP1A2 572/4885CYP3A4 1854/4885CYP2D6 486/4885

“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.