SCHEMBL8535240

SCHEMBL8535240

O=c1cccc(-c2cccc(=O)[nH]2)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.68
MAP2K1 Q02750 1/20 0.54
NPY5R Q15761 1/20 0.40
FKBP5 Q13451 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MMP1 P03956 2/20 0.38
MMP12 P39900 2/20 0.38
CRBN Q96SW2 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL1384813 0.82 NOTUM (1.00) NOTUMMAP2K1GPR84GCKALDH1A1
SCHEMBL30693692 0.82 NOTUM (0.56) NOTUMMAP2K1NPY5RGPR84GCK
SCHEMBL8515018 0.80 NOTUM (0.54) NOTUMMAP2K1NPY5RGPR84CA12
SCHEMBL5674033 0.77 NOTUM (0.67) NOTUMMAP2K1GPR84MMP1MMP12
SCHEMBL11226843 0.77 NOTUM (0.67) NOTUMMAP2K1NPY5RGCKPIM1
SCHEMBL7369068 0.77 NOTUM (0.67) NOTUMMAP2K1CA12CA9MMP1
SCHEMBL5393702 0.76
SCHEMBL28606824 0.75 NOTUM (0.48) NOTUMMAP2K1MMP1MMP12MMP2
SCHEMBL30602735 0.75 NOTUM (0.53) NOTUMMAP2K1CA12CA9MMP1
SCHEMBL5709792 0.73 NOTUM (0.52) NOTUMNPY5RALDH1A1KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118142589-A Catalyst for co-production of dimethyl oxalate and dimethyl carbonate, preparation method and application thereof 河南能源集团研究总院有限公司 2024-06-07 CN claimed
CN-117996027-A Lithium-rich manganese-based positive electrode material and preparation method and application thereof 苏州埃米特材料科技有限公司 2024-05-07 CN claimed
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 CN claimed
CN-117776958-A Aromatic hydrocarbon carboxylic acid meta-position alkylation product and synthesis method thereof 华南理工大学 2024-03-29 CN claimed
CN-118142589-A Catalyst for co-production of dimethyl oxalate and dimethyl carbonate, preparation method and application thereof 河南能源集团研究总院有限公司 2024-06-07 CN disclosed
CN-118142589-A Catalyst for co-production of dimethyl oxalate and dimethyl carbonate, preparation method and application thereof 河南能源集团研究总院有限公司 2024-06-07 CN disclosed
CN-117996027-A Lithium-rich manganese-based positive electrode material and preparation method and application thereof 苏州埃米特材料科技有限公司 2024-05-07 CN disclosed
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 CN disclosed
CN-117776958-A Aromatic hydrocarbon carboxylic acid meta-position alkylation product and synthesis method thereof 华南理工大学 2024-03-29 CN disclosed
US-9527066-B2 Dihydroxybipyridine complexes of ruthenium and iridium for water oxidation and hydrogenation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-12-27 US disclosed
US-9527066-B2 Dihydroxybipyridine complexes of ruthenium and iridium for water oxidation and hydrogenation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-12-27 US disclosed
US-20160101177-A1 pH AND LIGHT ACTIVATED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2016-04-14 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US disclosed
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US disclosed
WO-2012070040-A1 COMPOSITIONS AND METHODS FOR AMELIORATING RENAL DYSFUNCTION INDUCED BY RENAL HYPOPERFUSION OR ACUTE KIDNEY INJURY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2012-05-31 WO disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 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 (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-20160101177-A1 pH AND LIGHT ACTIVATED ANTI-CANCER DRUGS CA2, CA6, NFATC1 NOTUM 4320/4885MAP2K1 2138/4885NPY5R 4676/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP NOTUM 3196/4885MAP2K1 1890/4885NPY5R 798/4885

“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.