SCHEMBL832232

SCHEMBL832232

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
XDH P47989 1/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 4/20 0.41
RXFP1 Q9HBX9 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
RAB9A P51151 2/20 0.39
ALPL P05186 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
SCHEMBL832680 0.91 L3MBTL1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2XDHMAPT
SCHEMBL831302 0.89 XDH (0.48) ALDH1A1L3MBTL1SMN1; SMN2XDHMAPT
SCHEMBL831110 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2XDHCACNA1F
SCHEMBL829500 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL829557 0.80 XDH (0.45) ALDH1A1L3MBTL1XDHMAPTPOLB
SCHEMBL830774 0.78 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL830072 0.77 XDH (0.45) ALDH1A1L3MBTL1XDHSCN5ASCN9A
SCHEMBL831107 0.76 MAPT (0.45) ALDH1A1L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL830427 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2MAPTRXFP1
SCHEMBL832431 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2MAPTHPGD

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 1238/4885L3MBTL1 823/4885SMN1; SMN2 2562/4885

“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.