SCHEMBL17812852

SCHEMBL17812852

c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5n4)cc3)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
STAT1 P42224 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 1/20 0.37
HPGD P15428 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL17812847 0.99 MAPT (0.45) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL30640174 0.95 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL17805249 0.95 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL30911065 0.95 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL15949761 0.95 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL17812845 0.95 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL17805193 0.94 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL10018444 0.94 MAPK1 (0.45) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL17805262 0.93 CYP11B1 (0.50) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL17805244 0.93 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1MAPK1

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 9 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
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 2537/4885MAPT 2734/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 NPC1 1334/4885RAB9A 2537/4885MAPT 2734/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 NPC1 4372/4885RAB9A 4713/4885MAPT 1212/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT NPC1 1622/4885RAB9A 2172/4885MAPT 2246/4885

“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.