SCHEMBL830856

SCHEMBL830856

CCOC(=O)c1c(CC(C)C)cc(-c2ccc(C)c(F)c2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43
DHODH Q02127 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMO O15229 2/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 2/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL829769 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTTP53DHODH
SCHEMBL832295 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53SMN1; SMN2GAA
SCHEMBL831687 0.86 KMO (0.48) ALDH1A1L3MBTL1HTTDHODHSMN1; SMN2
SCHEMBL831580 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTTP53SMN1; SMN2
SCHEMBL830487 0.81 SLC6A3 (0.39) TP53DHODHPOLBMAPTKMO
SCHEMBL830490 0.79 KMO (0.46) TP53DHODHKMO
SCHEMBL831905 0.76 KMO (0.45) ALDH1A1L3MBTL1DHODHKMO
SCHEMBL831044 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1HTTTP53SMN1; SMN2
SCHEMBL831887 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTTP53SMN1; SMN2
SCHEMBL831980 0.74 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTTP53SMN1; SMN2

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 823/4885HTT 391/4885

“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.