SCHEMBL3752970

SCHEMBL3752970

Cc1ccc(-c2ccc(C=O)c(Cl)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 2/20 0.42
HSD11B1 P28845 1/20 0.38
PTGS2 P35354 1/20 0.37
GRIN2B Q13224 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
HDAC1 Q13547 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
SCHEMBL3752115 0.89 CYP1A2 (0.44) KMOCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3752590 0.78 KMO (0.38) KMOALDH1A1KDM4EMEN1MAPT
SCHEMBL3758452 0.76 KMO (0.58) KMOALDH1A1SMN1; SMN2
SCHEMBL16520976 0.75 KMO (0.44) KMOCYP3A4ALDH1A1MAPTMPI
SCHEMBL2320110 0.74 KMO (0.48) KMOERN1HSD11B1GRIN2BNISCH
SCHEMBL3747251 0.73 NOTUM (0.48) KMOCYP1A2GRIN2B
SCHEMBL3750668 0.73 SMN1; SMN2 (0.53) KMOMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3747368 0.72 CASP1 (0.43) ALDH1A1
SCHEMBL3745558 0.71 ERN1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL16593310 0.71 TGFBR1 (0.48) MEN1KMT2AERN1HSD11B1HSD17B14

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 KMO 533/4885CYP1A2 572/4885CYP3A4 1854/4885

“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.