SCHEMBL2809485

SCHEMBL2809485

N#Cc1ccc2c(c1)C(=O)NC2=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.59
PPOX P50336 1/20 0.50
CHEK1 O14757 1/20 0.46
GSK3B P49841 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASP3 P42574 1/20 0.43
PDPK1 O15530 1/20 0.43
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL16939028 0.83 GRM5 (0.81) GRM5PPOXGSK3BCYP3A4TDP1
SCHEMBL3448319 0.79 GRM5 (0.59) GRM5PPOXGSK3BCYP3A4TDP1
SCHEMBL2209314 0.77 ALOX15 (0.48) GRM5CHEK1TDP1CASP3PDPK1
SCHEMBL16938990 0.76 GRM5 (0.66) GRM5PPOXGSK3BCYP3A4TDP1
SCHEMBL28401108 0.76 CASP3 (0.52) CYP3A4TDP1CASP3MAOAMAOB
SCHEMBL11621386 0.76 CASP3 (0.52) CYP3A4TDP1CASP3MAOAMAOB
SCHEMBL11622088 0.76 CASP3 (0.52) CASP3MAOAMAOBNOS3NOS1
SCHEMBL17260271 0.75 CES1 (0.55) CHEK1CASP3PDPK1MAOAMAOB
SCHEMBL2498450 0.75 TGM2 (0.55) GSK3BCASP3PDPK1MAOAMAOB
SCHEMBL29637691 0.75 GRM5 (1.00) GRM5PPOXGSK3BCYP3A4TDP1

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
US-8242159-B2 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-08-14 US claimed
US-20100240725-A1 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION DONG-A PHARMACEUTICAL. CO., LTD (KR) 2010-09-23 US claimed
EP-2215070-A2 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION Dong-A Pharmaceutical Co., Ltd. (KR) 2010-08-11 EP claimed
WO-2009057974-A2 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION DONG-A PHARMACEUTICAL. CO., LTD (KR) 2009-05-07 WO claimed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US claimed
US-3993690-A Method of obtaining aromatic tri-or-tetracarboxylic acids SUVOROV BORIS VIKTOROVICH 1976-11-23 US claimed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP disclosed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
CN-103889972-A DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA 2014-06-25 CN disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 US disclosed
US-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
US-5858640-A ANTIFOGGING AGENTS EASTMAN KODAK COMPANY (US) 1999-01-12 US disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0880061-A1 Thermally processable imaging element comprising sulfenimide compounds EASTMAN KODAK COMPANY (US) 1998-11-25 EP disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US disclosed
US-3993690-A Method of obtaining aromatic tri-or-tetracarboxylic acids SUVOROV BORIS VIKTOROVICH 1976-11-23 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-20100240725-A1 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION SLC18A2, SLC18A1, SLC6A4 GRM5 420/4885PPOX 1615/4885CHEK1 4839/4885
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B GRM5 4215/4885PPOX 87/4885CHEK1 3882/4885

“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.