SCHEMBL832309

SCHEMBL832309

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPRS1 P07814 1/20 0.45
NOTUM Q6P988 3/20 0.42
MAPT P10636 4/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCL1 Q07820 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PRKCZ Q05513 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
SCHEMBL832221 0.90 MAPT (0.50) ALDH1A1L3MBTL1NOTUMMAPTRAB9A
SCHEMBL830774 0.89 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1NOTUMMAPTRAB9A
SCHEMBL831022 0.89 ALDH1A1 (0.47) ALDH1A1L3MBTL1NOTUMMAPTSMN1; SMN2
SCHEMBL829581 0.86 NOTUM (0.46) ALDH1A1L3MBTL1NOTUMMAPTKDM4E
SCHEMBL830911 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1NOTUMMAPTRAB9A
SCHEMBL832236 0.85 NOTUM (0.47) ALDH1A1L3MBTL1NOTUMMAPTSMN1; SMN2
SCHEMBL831503 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1NOTUMMAPTTP53
SCHEMBL831077 0.77 NOTUM (0.41) ALDH1A1L3MBTL1NOTUMMAPTSMN1; SMN2
SCHEMBL830473 0.76 MAPT (0.47) ALDH1A1L3MBTL1NOTUMMAPTRAB9A
SCHEMBL831107 0.74 MAPT (0.45) ALDH1A1L3MBTL1NOTUMMAPTRAB9A

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 823/4885EPRS1 2153/4885

“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.