SCHEMBL368693

SCHEMBL368693

CCCC(N)Cc1ccccc1N=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.36
MAPK1 P28482 7/20 0.35
TDP1 Q9NUW8 7/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TSHR P16473 4/20 0.34
HBB P68871 2/20 0.34

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
SCHEMBL368694 0.80 EPHX1 (0.47) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL29289210 0.78 HTR2A (0.41) SIGMAR1SLC6A2ADORA1SLC6A3EPHX1
SCHEMBL24815612 0.75 ALDH1A1 (0.50) ALDH1A1TRPA1MAPK1TDP1MEN1
SCHEMBL15261382 0.75 ALDH1A1 (0.50) ALDH1A1TRPA1MAPK1TDP1MEN1
SCHEMBL10438321 0.74 ALDH1A1 (0.44) NOS3NOS1NOS2ALDH1A1TRPA1
SCHEMBL5324683 0.73 TAAR1 (0.45) KMT2ASIGMAR1CYP3A4SLC6A2SLC6A3
SCHEMBL11881831 0.72 CYP3A4 (0.51) ALDH1A1TRPA1MAPK1TDP1MEN1
SCHEMBL368692 0.72 ALDH1A1 (0.38) NOS3NOS1NOS2ALDH1A1TRPA1
SCHEMBL16100132 0.71 CYP3A4 (0.46) ALDH1A1CYP3A4CYP2C9
SCHEMBL21524964 0.71 ALDH1A1 (0.50) ALDH1A1TRPA1MAPK1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573326-B Novel benzotriazole derivative and organic electroluminescent device using the same 保土谷化学工业株式会社 2024-03-15 CN disclosed
EP-3432688-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-12-20 EP disclosed
CN-112079814-B Benzotriazole derivative and organic electroluminescent device 保土谷化学工业株式会社 2023-11-07 CN disclosed
US-11056653-B2 Organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-07-06 US disclosed
CN-112079814-A Benzotriazole derivative and organic electroluminescent device 保土谷化学工业株式会社 2020-12-15 CN disclosed
US-20200328353-A1 Organic Electroluminescence Device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-10-15 US disclosed
EP-2767534-B1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED HODOGAYA CHEMICAL CO LTD (JP) 2020-06-03 EP disclosed
EP-3432688-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2019-01-23 EP disclosed
EP-2409974-B1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2018-04-25 EP disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
EP-3029034-A1 BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2016-06-08 EP disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9005776-B2 Compound having benzotriazole ring structure and organic electroluminescent element HODOGAYA CHEMICAL CO., LTD. (JP) 2015-04-14 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
EP-2767534-A1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED Hodogaya Chemical Co., Ltd. (JP) 2014-08-20 EP disclosed
EP-2409974-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20120012831-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT SHINSHU UNIVERSITY (JP) 2012-01-19 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 (2 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 NOS3 4413/4885NOS1 3422/4885NOS2 3731/4885
US-20120012831-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT BRD4, ARNT, MLLT1 NOS3 2705/4885NOS1 2540/4885NOS2 2548/4885

“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.