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SCHEMBL832140

SCHEMBL832140

O=C(O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ACHE P22303 1/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ MAPKAPK2 P49137 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ TSSK2 Q96PF2 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ CTRC Q99895 2/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL831590 0.89 KDM4E (0.44) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL831552 0.84 VCP (0.52) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL830165 0.81 ALDH1A1 (0.43) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL839948 0.80 KDM4E (0.40) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL839415 0.79 KMO (0.42) MAPTHPGDKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL829899 0.79 KDM4E (0.39) HPGDKDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL832585 0.78 KMO (0.41) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL831824 0.78 HPGD (0.48) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL832659 0.74 FABP3 (0.46) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL832238 0.73 VCP (0.52) POLBMAPTHPGDKDM4EALDH1A1

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 POLB 3352/4885MAPT 906/4885HPGD 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.