SCHEMBL2735969

SCHEMBL2735969

O=C(NCc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA9 Q16790 1/20 0.72
KDM4E B2RXH2 4/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 1/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
DRD2 P14416 1/20 0.62
DRD3 P35462 1/20 0.62
HSD17B10 Q99714 1/20 0.62
IDO1 P14902 1/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL6657027 0.90 HDAC2 (0.67) CA12CA1CA2CA9KDM4E
SCHEMBL28238551 0.89 HDAC2 (0.60) CA12CA1CA2CA9KDM4E
SCHEMBL6657894 0.89 NHERF1 (0.69) CA12CA1CA2CA9KDM4E
SCHEMBL6655159 0.89 LMNA (0.63) CA12CA1CA2CA9KDM4E
SCHEMBL6658034 0.88 SRC (0.81) CA12CA1CA2CA9KDM4E
SCHEMBL18641772 0.86 HDAC2 (0.60) CA12CA1CA2CA9KDM4E
SCHEMBL27427552 0.86 CA12 (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL4930492 0.86 HDAC2 (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL17149769 0.86 LMNA (0.62) CA12CA1CA2CA9KDM4E
SCHEMBL2760003 0.86 SRC (0.83) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906535-A1 INDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
WO-2014056755-A1 INDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
EP-1018878-A4 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SMITHKLINE BEECHAM CORP (US) 2001-01-10 EP claimed
EP-1018878-A1 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SmithKline Beecham Corporation (US) 2000-07-19 EP claimed
WO-1998041092-A1 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO claimed
US-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 US disclosed
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
US-10167257-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2019-01-01 US disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-6214856-B1 TREATING NEURODEGENERATIVE DISORDERS, E.G., ALZHEIMER'S DISEASE, STROKES, TRAUMATIC BRAIN INJURY; ANTIISCHEMIC AGENTS; MUSCULAR DYSTROPHY; ALSO CATARACTS; PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION 2001-04-10 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 (7 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 CA12 2263/4885CA1 2754/4885CA2 836/4885
US-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 CA12 1763/4885CA1 1645/4885CA2 649/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 CA12 1894/4885CA1 1779/4885CA2 687/4885
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 CA12 470/4885CA1 498/4885CA2 743/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 CA12 470/4885CA1 498/4885CA2 743/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 CA12 1898/4885CA1 1618/4885CA2 664/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK CA12 4597/4885CA1 3955/4885CA2 2258/4885

“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.