SCHEMBL2365647

SCHEMBL2365647

Cc1cc(C)nc(Nc2cccc(C(=O)O)c2)n1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.74
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 2/20 0.68
TP53 P04637 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
PRKCA P17252 1/20 0.52
SYK P43405 1/20 0.52

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
SCHEMBL26135613 0.89 RHOA (0.93) RHOANPC1RAB9AKDM4ETP53
SCHEMBL30633056 0.89 RHOA (0.93) RHOANPC1RAB9AKDM4ETP53
SCHEMBL31167291 0.84 RHOA (0.73) RHOANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21925297 0.83 RHOA (0.77) RHOANPC1RAB9AKDM4EMEN1
SCHEMBL28238119 0.83 RHOA (0.82) RHOANPC1RAB9AKDM4EMEN1
SCHEMBL2420716 0.82 RAB9A (0.97) RHOANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14817396 0.81 RHOA (0.79) RHOANPC1RAB9AKDM4EMEN1
SCHEMBL4099966 0.81 RHOA (0.74) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL1552392 0.81 RHOA (0.79) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL17018656 0.80 RHOA (0.68) RHOANPC1RAB9ASMN1; SMN2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927549-B2 Adamantyl benzamide derivatives HIGH POINT PHARMACEUTICALS, LLC (US) 2015-01-06 US disclosed
CN-102223797-A Adamantyl benzamide compounds HIGH POINT PHARMACEUTICALS LLC 2011-10-19 CN disclosed
US-20110224244-A1 Adamantyl Benzamide Derivatives HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-15 US disclosed
EP-2362730-A1 ADAMANTYL BENZAMIDE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2011-09-07 EP disclosed
WO-2010059618-A1 ADAMANTYL BENZAMIDE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-27 WO disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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 (2 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 RHOA 1780/4885NPC1 2357/4885RAB9A 2286/4885
US-20110224244-A1 Adamantyl Benzamide Derivatives HSD11B1, HSD17B11, HSD3B1 RHOA 2956/4885NPC1 596/4885RAB9A 2606/4885

“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.