SCHEMBL16787396

SCHEMBL16787396

Cc1ccc(O)c(-c2ncccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
KDM1A O60341 4/20 0.50
IDO1 P14902 1/20 0.47
TRPA1 O75762 1/20 0.46
HPGD P15428 5/20 0.45
MAPT P10636 5/20 0.45
ALOX15 P16050 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 4/20 0.45
NPSR1 Q6W5P4 3/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44

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
SCHEMBL12714307 0.81 TRPA1 (0.52) CYP19A1IDO1TRPA1HPGDMAPT
SCHEMBL27951884 0.79 CYP19A1 (0.56) CYP19A1KDM1AIDO1HPGDMAPT
SCHEMBL16787397 0.79 KMT2A (0.46) CYP19A1HPGDMAPTMEN1KMT2A
SCHEMBL6449913 0.78 CYP19A1 (0.51) CYP19A1IDO1HPGDMAPTALOX15
SCHEMBL30046067 0.78 TRPA1 (0.65) CYP19A1IDO1TRPA1HPGDMAPT
SCHEMBL29763149 0.78 TRPA1 (0.65) CYP19A1IDO1TRPA1HPGDMAPT
SCHEMBL278520 0.78 TRPA1 (0.65) CYP19A1IDO1TRPA1HPGDMAPT
SCHEMBL6511484 0.76 ALDH1A1 (0.47) CYP19A1IDO1TRPA1HPGDMAPT
SCHEMBL16787395 0.76 CYP19A1 (0.42) CYP19A1HPGDMAPTALOX15MEN1
SCHEMBL4550929 0.75 ALDH1A1 (0.44) CYP19A1MAPTMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776430-B1 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-16 EP disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CYP19A1 534/4885KDM1A 1011/4885IDO1 291/4885

“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.