SCHEMBL831824

SCHEMBL831824

CC(C)CNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
ANO1 Q5XXA6 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ACHE P22303 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CTRC Q99895 3/20 0.39
PSD A5PKW4 1/20 0.39
GPR6 P46095 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
SCHEMBL831419 0.90 ALDH1A1 (0.49) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL830165 0.85 ALDH1A1 (0.43) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL831552 0.82 VCP (0.52) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL830805 0.81 POLB (0.46) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL829804 0.80 POLB (0.45) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL832659 0.79 FABP3 (0.46) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL829557 0.78 XDH (0.45) HPGDALDH1A1LMNAMAPTPOLB
SCHEMBL832140 0.78 POLB (0.43) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL831291 0.76 POLB (0.43) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL830022 0.76 POLB (0.42) HPGDALDH1A1KDM4ELMNAMAPT

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 HPGD 1605/4885ALDH1A1 1238/4885KDM4E 3571/4885

“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.