SCHEMBL830689

SCHEMBL830689

CCOc1cc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 3/20 0.42
ALPL P05186 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G2A P14555 1/20 0.41
TP53 P04637 2/20 0.40
CNR1 P21554 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CNR2 P34972 1/20 0.39
S1PR4 O95977 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
SCHEMBL839964 0.88 FABP3 (0.49) SMN1; SMN2NPC1RAB9AADORA3ALPL
SCHEMBL831113 0.87 FABP3 (0.48) SMN1; SMN2NPC1RAB9AADORA3ALPL
SCHEMBL831311 0.86 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL831114 0.86 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AADORA3
SCHEMBL829901 0.84 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL8081682 0.81 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL831416 0.79 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL17941962 0.76 NAMPT (0.53)
SCHEMBL19895143 0.75 SMN1; SMN2 (0.68) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL831049 0.74 FABP3 (0.47) ADORA3KDM4EALDH1A1HPGD

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 6 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

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 MAPT 906/4885SMN1; SMN2 2562/4885NPC1 94/4885

“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.