SCHEMBL831503

SCHEMBL831503

COC(=O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NOTUM Q6P988 3/20 0.39
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.36
XPO1 O14980 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DHODH Q02127 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 2/20 0.34
CFTR P13569 2/20 0.34
TP53 P04637 1/20 0.34
SDHB P21912 1/20 0.34
FOXM1 Q08050 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
SCHEMBL13053995 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1NOTUMHPGDTSHR
SCHEMBL830911 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1NOTUMHPGDTSHR
SCHEMBL832221 0.85 MAPT (0.50) ALDH1A1L3MBTL1NOTUMHPGDCASP1
SCHEMBL3747590 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGDTSHRMAPT
SCHEMBL831022 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1NOTUMHPGDTSHR
SCHEMBL830774 0.84 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1NOTUMHPGDCASP1
SCHEMBL829581 0.83 NOTUM (0.46) ALDH1A1L3MBTL1NOTUMHPGDTSHR
SCHEMBL3753285 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDTSHRCASP1
SCHEMBL832236 0.82 NOTUM (0.47) ALDH1A1L3MBTL1NOTUMHPGDMAPT
SCHEMBL832309 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1NOTUMHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT ALDH1A1 1238/4885L3MBTL1 823/4885NOTUM 761/4885

“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.