SCHEMBL17812864

SCHEMBL17812864

c1ccc(-c2ccc3nn(-c4cccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
STAT1 P42224 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA5 P30532 2/20 0.37

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
SCHEMBL17805236 0.96 GRM5 (0.46) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL16355361 0.95 GRM5 (0.46) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL16355309 0.95 GRM5 (0.46) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL16355356 0.94 GRM5 (0.45) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL30640174 0.90 NPC1 (0.44) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL17805249 0.90 NPC1 (0.44) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL15959769 0.89 MAPK1 (0.42) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL17812847 0.89 MAPT (0.45) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL30911078 0.89 CYP11B2 (0.54) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL15949847 0.89 CYP11B2 (0.54) GRM5MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 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-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 GRM5 3345/4885MAPT 1212/4885NPC1 4372/4885

“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.