SCHEMBL830473

SCHEMBL830473

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GCGR P47871 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 1/20 0.41
NOTUM Q6P988 1/20 0.41
PLA2G2A P14555 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL832659 0.87 FABP3 (0.46) MAPTL3MBTL1ALDH1A1RAB9ARXFP1
SCHEMBL832221 0.85 MAPT (0.50) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL831107 0.84 MAPT (0.45) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL833856 0.83 L3MBTL1 (0.45) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL832680 0.81 L3MBTL1 (0.43) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL831295 0.78 L3MBTL1 (0.41) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL829901 0.78 MAPT (0.43) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL830774 0.77 SMN1; SMN2 (0.51) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL831022 0.77 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1SMN1; SMN2NOTUM
SCHEMBL832309 0.76 ALDH1A1 (0.46) MAPTL3MBTL1ALDH1A1SMN1; SMN2RAB9A

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 906/4885L3MBTL1 823/4885ALDH1A1 1238/4885

“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.