Sugi Predict

Sugi Predict / Compounds / SCHEMBL830165

SCHEMBL830165

SCHEMBL830165

CC(C)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.42
▸ CTRC Q99895 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ LDHA P00338 2/20 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
SCHEMBL830842 0.89 KDM4E (0.44) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL831824 0.85 HPGD (0.48) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL832422 0.83 KMO (0.45) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL832659 0.82 FABP3 (0.46) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL832140 0.81 POLB (0.43) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL831621 0.79 CTRC (0.40) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL831291 0.79 POLB (0.43) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL830805 0.79 POLB (0.46) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL829804 0.78 POLB (0.45) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL831552 0.78 VCP (0.52) ALDH1A1KDM4EHPGDPOLBMAPT

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 1238/4885KDM4E 3571/4885HPGD 1605/4885

“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.