SCHEMBL10412952

SCHEMBL10412952

Cc1ccc2c[nH]cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.60
▸ CYP2A6 P11509 5/20 0.60
▸ TDP1 Q9NUW8 1/20 0.50
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NCK1 P16333 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 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
SCHEMBL11344954 0.90 CYP1A2 (0.62) CYP1A2CYP2A6TDP1CA12CA9
SCHEMBL13680576 0.77 ENPP3 (0.44) PIN1
SCHEMBL308248 0.76 CYP1A2 (1.00) CYP1A2CYP2A6TDP1CA12CA9
SCHEMBL29389285 0.76 CYP1A2 (1.00) CYP1A2CYP2A6TDP1CA12CA9
SCHEMBL29399131 0.74 CYP1A2 (1.00) CYP1A2CYP2A6TDP1CA12CA9
SCHEMBL10882775 0.74 CYP1A2 (0.93) CYP1A2CYP2A6TDP1CA12CA9
Ammonia Solution, Strong SCHEMBL28805667 0.74 CYP2A6 (0.93) CYP1A2CYP2A6TDP1CA12CA9
SCHEMBL425085 0.74 CYP1A2 (1.00) CYP1A2CYP2A6TDP1CA12CA9
Methane SCHEMBL28761144 0.74 CYP1A2 (0.93) CYP1A2CYP2A6TDP1CA12CA9
Water SCHEMBL27539226 0.74 CYP1A2 (0.93) CYP1A2CYP2A6TDP1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437072-B Synthesis method of 6-methylisoindolo [2,1-a ] quinoxaline compound 中国科学院大连化学物理研究所 2023-03-31 — — CN claimed
CN-114920911-B Method for producing polyisothiaindene conductive polymer 株式会社力森诺科 2024-05-03 — — CN disclosed
CN-114437072-B Synthesis method of 6-methylisoindolo [2,1-a ] quinoxaline compound 中国科学院大连化学物理研究所 2023-03-31 — — CN disclosed
EP-4129407-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-02-08 — — EP disclosed
WO-2022212296-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-10-06 — — WO disclosed
CN-114920911-A Method for producing polyisothianaphthene-based conductive polymer 昭和电工株式会社 2022-08-19 — — CN disclosed
CN-110121516-B Method for producing polyisothianaphthene-based conductive polymer 昭和电工株式会社 2022-07-01 — — CN disclosed
CN-114437072-A Synthetic method of 6-methylisoindolo [2,1-a ] quinoxaline compound 中国科学院大连化学物理研究所 2022-05-06 — — CN disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-11183340-B2 Method for manufacturing solid electrolytic capacitor SHOWA DENKO K.K. (JP) 2021-11-23 — — US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 — — US disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 — — WO disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 — — US disclosed
WO-2014164749-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. (US) 2014-10-09 — — WO disclosed
WO-2014164767-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. (US) 2014-10-09 — — WO disclosed
WO-2013051625-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS 日産化学工業株式会社 (JP) 2013-04-11 — — WO disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 — — WO disclosed
US-4954590-A SUBJECTING ISOINDOLINE ISOINDOLE COMPOUND TO OXIDATIVE POLYMERIZATION; ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-09-04 — — US disclosed
US-4833231-A Polymer having isoindole structure SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-05-23 — — US disclosed
EP-0248915-A1 POLYMERS HAVING ISOINDOLE STRUCTURE AND PROCESS FOR THEIR PREPARATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-12-16 — — EP 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP1A2 6/4885CYP2A6 42/4885TDP1 945/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CYP1A2 2103/4885CYP2A6 3737/4885TDP1 3474/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD CYP1A2 582/4885CYP2A6 594/4885TDP1 3567/4885

“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.

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