SCHEMBL4776064

SCHEMBL4776064

Cc1cc(-c2ccc(F)c(F)c2)c(C)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.47
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
XDH P47989 1/20 0.43
GRM5 P41594 1/20 0.40
EPRS1 P07814 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
DHODH Q02127 2/20 0.39
TGFBR1 P36897 1/20 0.39
POLQ O75417 1/20 0.38
IDO1 P14902 1/20 0.38
GRK6 P43250 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
AHR P35869 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4769554 0.87 KMO (0.50) KMONPC1MAPTAHRRAB9A
SCHEMBL4778508 0.85 DHODH (0.43) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4769713 0.80 GRM5 (0.36) KMOGRM5DHODHPOLQSMN1; SMN2
SCHEMBL4774420 0.78 CCNC (0.48) KMOPOLQ
SCHEMBL1794709 0.77 GRM5 (0.53) GRM5POLQNPC1MAPTRAB9A
SCHEMBL1794339 0.76 GRM5 (0.45) GRM5POLQNPC1RAB9ASMN1; SMN2
SCHEMBL4772395 0.75 HCAR2 (0.42) POLQ
SCHEMBL1795896 0.75 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4772430 0.74 PARP10 (0.42) KMOAKR1C3AKR1C2POLQSMN1; SMN2
SCHEMBL4774393 0.74 AR (0.42) KMOAKR1C3AKR1C2NPC1MAPT

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
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 KMO 1037/4885AKR1C3 2608/4885AKR1C2 2702/4885

“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.