SCHEMBL829901

SCHEMBL829901

CCOc1cc(-c2ccc(Cl)cc2)nc(C(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
GCGR P47871 1/20 0.42
ADORA3 P0DMS8 3/20 0.40
ALPL P05186 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
LTB4R Q15722 1/20 0.38

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
SCHEMBL832002 0.88 FABP3 (0.45) MAPTSMN1; SMN2NPC1RAB9AADORA3
SCHEMBL831704 0.87 FABP3 (0.44) MAPTSMN1; SMN2NPC1RAB9AADORA3
SCHEMBL831705 0.86 ALDH1A1 (0.39) MAPTSMN1; SMN2ADORA3ALPLALDH1A1
SCHEMBL830689 0.84 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL830473 0.78 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL831311 0.75 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL17941962 0.74 NAMPT (0.53)
SCHEMBL839964 0.74 FABP3 (0.49) SMN1; SMN2NPC1RAB9AADORA3ALPL
SCHEMBL830423 0.74 FABP3 (0.46) ALDH1A1KDM4EHPGDLTB4RCTRC
SCHEMBL831113 0.73 FABP3 (0.48) SMN1; SMN2NPC1RAB9AADORA3ALPL

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.