SCHEMBL831580

SCHEMBL831580

CCOC(=O)c1c(CC(C)C)cc(-c2cc(F)cc(F)c2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL832295 0.89 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL831887 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL830856 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL830411 0.85 DPP4 (0.41) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL832148 0.78 TRPV3 (0.36) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL831980 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL829550 0.76 DHODH (0.36) SMN1; SMN2RAB9ALMNANPC1HPGD
SCHEMBL829769 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL831148 0.74 KMO (0.44) SMN1; SMN2KDM4E
SCHEMBL831044 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2POLBMAPK1

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 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.