SCHEMBL2578977

SCHEMBL2578977

Clc1ccc2cc1-2.OBO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.52
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33

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
Methane SCHEMBL28951024 0.86 — —
Hydrazine SCHEMBL1996202 0.83 — —
Ethyne SCHEMBL27795216 0.83 — —
Hydrazine SCHEMBL1013687 0.81 AHR (0.54) AHRESR1ESR2CYP1B1ALDH1A1
SCHEMBL27996566 0.79 AHR (0.52) AHRESR1ESR2CYP1B1ALDH1A1
Bicarbonate SCHEMBL575081 0.78 AHR (0.46) AHRALDH1A1CYP3A4TSHRTP53
Acetic Acid SCHEMBL28517501 0.78 AHR (0.46) AHRALDH1A1TSHRTP53PTGER1
SCHEMBL10353413 0.77 AHR (0.50) AHRESR1ESR2CYP1B1ALDH1A1
Ethylamine SCHEMBL28458525 0.75 AHR (0.48) AHRCYP1B1ALDH1A1CYP3A4TSHR
SCHEMBL29171599 0.70 APP (0.48) ESR2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088776-A Method for preparing 2-nitrobiphenyl compound 江西天宇化工有限公司 2023-11-21 — — CN disclosed
CN-111201624-A Organic light emitting diode 株式会社LG化学 2020-05-26 — — CN disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 — — US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 — — US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 — — EP disclosed
CN-109476599-A Guanidine derivatives and its medical usage 东丽株式会社 2019-03-15 — — CN disclosed
CN-109476647-A The pyrimidine compound of weeding 巴斯夫欧洲公司 2019-03-15 — — CN disclosed
US-9296696-B2 Aryl derivatives and uses thereof JACOBUS PHARMACEUTICALS COMPANY, INC. (US) 2016-03-29 — — US disclosed
EP-2917200-A1 ARYL DERIVATIVES AND USES THEREOF Jacobus Pharmaceutical Company, Inc. (US) 2015-09-16 — — EP disclosed
US-20150080324-A1 Aryl Derivatives And Uses Thereof JACOBUS PHARMACEUTICAL COMPANY INC (US) 2015-03-19 — — US disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 — — EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 — — US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 — — US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 — — US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 — — EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 — — WO disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 — — US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 — — EP disclosed
US-6677338-B2 FOR THERAPY OF DEPRESSION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-01-13 — — US disclosed
US-20030105096-A1 Serotonin transport inhibitors WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-06-05 — — 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 (6 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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 AHR 3245/4885ESR1 4479/4885ESR2 4064/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 AHR 1237/4885ESR1 3040/4885ESR2 2859/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R AHR 109/4885ESR1 793/4885ESR2 402/4885
US-20150080324-A1 Aryl Derivatives And Uses Thereof G6PD, ABCC1, ABL1 AHR 202/4885ESR1 4688/4885ESR2 4188/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 AHR 3245/4885ESR1 4479/4885ESR2 4064/4885
US-20030105096-A1 Serotonin transport inhibitors SLC6A4, SLC6A2, SLC18A2 AHR 1315/4885ESR1 2623/4885ESR2 3460/4885

“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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