SCHEMBL7561

SCHEMBL7561

O=C(O)c1cc2ccccc2n1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 1.00
LDHA P00338 5/20 0.67
MCL1 Q07820 2/20 0.65
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
CCR2 P41597 5/20 0.57
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
PLA2G10 O15496 1/20 0.46
FDPS P14324 1/20 0.44

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
SCHEMBL7670332 0.82 DAO (0.70) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL7108 0.81 LDHA (0.82) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL7814 0.80 LDHA (1.00) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL13308 0.80 LDHA (1.00) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL7300 0.80 LDHA (1.00) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL2940271 0.80 DAO (0.67) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL30305558 0.80 DAO (0.67) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL2157437 0.78 DAO (0.65) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL3638561 0.78 DAO (0.65) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL2868490 0.78 DAO (0.65) DAOLDHAMCL1ALDH1A1TSHR

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-105866303-A Detecting method for determining various neurotransmitters on the basis of in situ derivation 曲阜师范大学 2016-08-17 CN disclosed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 US disclosed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 WO disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO disclosed
EP-2231666-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
EP-2038254-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-03-25 EP disclosed
US-20060016024-A1 Novel coupling components PARALLEL WIRELESS, INC. 2006-01-26 US disclosed
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
US-5643672-A Cosmetic composition containing solid particles coated with an amphoteric polymer L'OREAL (FR) 1997-07-01 US disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD DAO 565/4885LDHA 1/4885MCL1 1571/4885
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 DAO 176/4885LDHA 1/4885MCL1 418/4885
US-20060016024-A1 Novel coupling components KRT18, H1-4, H1-3 DAO 429/4885LDHA 3438/4885MCL1 3664/4885

“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.