SCHEMBL831311

SCHEMBL831311

CCc1nc(-c2ccc(Cl)cc2)cc(OC(C)C)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 3/20 0.40
CNR2 P34972 1/20 0.40
CTRC Q99895 1/20 0.40
PLA2G2A P14555 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALPL P05186 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.37
KMO O15229 1/20 0.37

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
SCHEMBL831049 0.88 FABP3 (0.47) ADORA3CTRCKDM4EALDH1A1HPGD
SCHEMBL830689 0.86 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL832414 0.86 ADORA3 (0.41) SMN1; SMN2L3MBTL1ADORA3ALDH1A1
SCHEMBL831416 0.82 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL8081682 0.79 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL829901 0.75 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL831714 0.74 MCL1 (0.40) ADORA3
SCHEMBL830423 0.74 FABP3 (0.46) CTRCKDM4EALDH1A1HPGDKMO
SCHEMBL839964 0.74 FABP3 (0.49) SMN1; SMN2NPC1RAB9AADORA3CTRC
SCHEMBL831113 0.73 FABP3 (0.48) SMN1; SMN2NPC1RAB9AADORA3CTRC

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 MAPT 906/4885SMN1; SMN2 2562/4885NPC1 94/4885

“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.