SCHEMBL145377

SCHEMBL145377

[c]1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
ERN1 O75460 4/20 0.46
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
CYP2A6 P11509 4/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL32677328 0.86 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL27159530 0.86 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL29766071 0.84 APP (0.71) APPHSD17B1HSD17B2CA1CA2
SCHEMBL163523 0.84 APP (0.71) APPHSD17B1HSD17B2CA1CA2
Bromide SCHEMBL31564934 0.82 APP (0.69) APPHSD17B1HSD17B2CA1CA2
SCHEMBL27631114 0.82 HSD17B1 (0.77) APPHSD17B1HSD17B2CA1CA2
SCHEMBL28954148 0.81 F9 (0.48) APPHSD17B1HSD17B2CA1CA2
SCHEMBL731117 0.80 APP (0.53) APPHSD17B1HSD17B2CA1CA2
SCHEMBL23555697 0.80 APP (0.72) APPHSD17B1HSD17B2CA1CA2
SCHEMBL5768436 0.80 APP (0.72) APPHSD17B1HSD17B2CA1CA2

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200274077-A1 PHOTOELECTRIC CONVERSION ELEMENT AND IMAGING APPARATUS SONY CORPORATION (JP) 2020-08-27 US claimed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN claimed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN claimed
CN-103187531-B Organic electroluminescence device and the purposes of bipolar organic compound WEIXINNUO DISPLAY TECH CO., LTD. (CN) 2016-12-14 CN claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP claimed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP claimed
CN-103187531-A Organic light-emitting device and purpose of double-polarity organic compound KUNSHAN VISIONOX DISPLAY TECH 2013-07-03 CN claimed
CN-103068798-A Di-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2013-04-24 CN claimed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US claimed
CN-109096217-B Heterocyclic compound and organic light-emitting device including the same 三星显示有限公司 2024-05-31 CN disclosed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
CN-110268037-B Organic electroluminescent device 罗门哈斯电子材料韩国有限公司 2023-09-29 CN disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US disclosed
WO-2005033073-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-04-14 WO disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
WO-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO 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-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL APP 3628/4885HSD17B1 631/4885HSD17B2 858/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA APP 3474/4885HSD17B1 383/4885HSD17B2 590/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 APP 2877/4885HSD17B1 468/4885HSD17B2 364/4885
US-20200274077-A1 PHOTOELECTRIC CONVERSION ELEMENT AND IMAGING APPARATUS PPOX, JUP, L1CAM APP 3803/4885HSD17B1 4241/4885HSD17B2 4064/4885

“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.