SCHEMBL832680

SCHEMBL832680

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 7/20 0.43
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
XDH P47989 1/20 0.39
PSD A5PKW4 1/20 0.38
CTRC Q99895 1/20 0.38
NOTUM Q6P988 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37

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
SCHEMBL832232 0.91 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTSCN5ASCN9A
SCHEMBL829557 0.89 XDH (0.45) L3MBTL1ALDH1A1MAPTSCN5ASCN9A
SCHEMBL831107 0.86 MAPT (0.45) L3MBTL1ALDH1A1MAPTRXFP1MRGPRX4
SCHEMBL831110 0.85 ALDH1A1 (0.44) L3MBTL1ALDH1A1SCN5ASCN9ASMN1; SMN2
SCHEMBL833856 0.83 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTRXFP1MRGPRX4
SCHEMBL831295 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTRXFP1MRGPRX4
SCHEMBL830473 0.81 MAPT (0.47) L3MBTL1ALDH1A1MAPTRXFP1MRGPRX4
SCHEMBL832221 0.81 MAPT (0.50) L3MBTL1ALDH1A1MAPTRXFP1MRGPRX4
SCHEMBL831302 0.80 XDH (0.48) L3MBTL1ALDH1A1MAPTRXFP1POLB
SCHEMBL832584 0.77 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTRXFP1POLB

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 L3MBTL1 823/4885ALDH1A1 1238/4885MAPT 906/4885

“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.