SCHEMBL2069301

SCHEMBL2069301

ClCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.54
▸ CYP1A2 P05177 1/20 0.50
▸ IDO1 P14902 3/20 0.48
▸ GFER P55789 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.44
▸ AHR P35869 1/20 0.44
▸ LSS P48449 1/20 0.44
▸ AGXT P21549 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL120896 0.91 — —
Phosphine SCHEMBL4870393 0.88 IDO1 (0.52) MAOBIDO1LMNACYP2A6TAAR1
SCHEMBL3986244 0.88 IDO1 (0.52) MAOBIDO1LMNACYP2A6TAAR1
Hydrochloric Acid SCHEMBL11121998 0.88 IDO1 (0.52) MAOBIDO1LMNACYP2A6TAAR1
SCHEMBL4989141 0.88 IDO1 (0.52) MAOBIDO1LMNACYP2A6TAAR1
Methane SCHEMBL28356057 0.88 IDO1 (0.52) MAOBIDO1LMNACYP2A6TAAR1
SCHEMBL9456876 0.88 HRH3 (0.47) MAOBIDO1LMNATAAR1AGXT
SCHEMBL187751 0.88 HRH3 (0.47) MAOBIDO1LMNATAAR1AGXT
Water SCHEMBL11480029 0.85 HRH3 (0.45) MAOBIDO1LMNATAAR1AGXT
SCHEMBL8992968 0.83 IDO1 (0.48) IDO1LMNACYP2A6TAAR1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037698-A1 Benzaldehyde derivatives for use as a chemical intermediate IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 — — EP claimed
CN-106188243-B Preparation method of oritavancin 博瑞生物医药(苏州)股份有限公司 2020-06-26 — — CN disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 — — US disclosed
EP-1953161-B1 New tricyclic derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-08-26 — — EP disclosed
WO-2008110691-A1 NOVEL TRICYCLIC DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-09-18 — — WO disclosed
US-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2008-08-07 — — US disclosed
EP-1953161-A1 New tricyclic derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-08-06 — — EP disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 — — US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 — — EP disclosed
EP-0037697-B1 DIOXOLANE DERIVATIVES FOR USE AS CHEMICAL INTERMEDIATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-01 — — EP disclosed
US-4428956-A GLYCOLATE OXIDASE INHIBITORS MERCK & CO., INC. (US) 1984-01-31 — — US disclosed
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 — — EP disclosed
US-4348322-A Dioxolane derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-09-07 — — US disclosed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 — — US disclosed
EP-0037697-A1 Dioxolane derivatives for use as chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 — — EP disclosed
EP-0037698-A1 Benzaldehyde derivatives for use as a chemical intermediate IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 — — EP disclosed
EP-0037698-A1 Benzaldehyde derivatives for use as a chemical intermediate IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 — — EP disclosed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 — — EP disclosed
US-4107329-A Fluorinated compounds as therapeutics IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-15 — — 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-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CASP3 MAOB 1065/4885CYP1A2 43/4885IDO1 2763/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD MAOB 1777/4885CYP1A2 446/4885IDO1 2795/4885

“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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