SCHEMBL17812845

SCHEMBL17812845

c1cncc(-c2ccc(-c3ccc4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
CLK4 Q9HAZ1 3/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL17805249 0.97 NPC1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL30640174 0.97 NPC1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL30911085 0.97 MAPK1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL15949821 0.97 MAPK1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL17805193 0.96 NPC1 (0.41) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL10018444 0.96 MAPK1 (0.45) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL17805242 0.95 NPC1 (0.42) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL30911065 0.95 NPC1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL15949761 0.95 NPC1 (0.44) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL17812852 0.95 NPC1 (0.43) NPC1RAB9AMAPK1ALDH1A1MAPT

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-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-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 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
EP-3240057-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-01 EP disclosed
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 WO disclosed
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 (4 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 NPC1 1334/4885RAB9A 2537/4885MAPK1 255/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 NPC1 1334/4885RAB9A 2537/4885MAPK1 255/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 NPC1 4372/4885RAB9A 4713/4885MAPK1 447/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT NPC1 1622/4885RAB9A 2172/4885MAPK1 903/4885

“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.