SCHEMBL16355309

SCHEMBL16355309

c1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5cccc(-c6cccnc6)c5)nc4c3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
MAPK1 P28482 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
HIF1A Q16665 3/20 0.40
RAF1 P04049 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CLK4 Q9HAZ1 3/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL16355356 0.99 GRM5 (0.45) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL16355361 0.98 GRM5 (0.46) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL17805236 0.96 GRM5 (0.46) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL17812864 0.95 GRM5 (0.43) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL15959769 0.92 MAPK1 (0.42) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL16355365 0.92 ALDH1A1 (0.41) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL10018444 0.91 MAPK1 (0.45) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL15949847 0.91 CYP11B2 (0.54) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL30911078 0.91 CYP11B2 (0.54) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL15949761 0.90 NPC1 (0.44) MAPK1NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140374721-A1 NOVEL BENZOTRIAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE DERIVATIVES HODOGAYA CHEMICAL CO., LTD (JP) 2014-12-25 US disclosed
US-20140374721-A1 NOVEL BENZOTRIAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE DERIVATIVES HODOGAYA CHEMICAL CO., LTD (JP) 2014-12-25 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 (3 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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 GRM5 2841/4885MAPK1 255/4885NPC1 1334/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 GRM5 2841/4885MAPK1 255/4885NPC1 1334/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT GRM5 2669/4885MAPK1 903/4885NPC1 1622/4885

“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.