SCHEMBL5457531

SCHEMBL5457531

C=C[CH]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CASP3 P42574 2/20 0.44
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GSK3B P49841 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
TGM2 P21980 1/20 0.36
MEN1 O00255 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL30124938 0.81 ALDH1A1 (0.48) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL29372938 0.81 ALDH1A1 (0.48) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL35297 0.81 ALDH1A1 (0.48) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL4905639 0.78 ALDH1A1 (0.43) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL20954062 0.75 POLB (0.46) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL14050320 0.74 ALDH1A1 (0.43) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL238005 0.73 POLB (0.44) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL30996374 0.73 POLB (0.44) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL23604158 0.71 POLB (0.43) ALDH1A1CASP3EHMT2EHMT1POLB
SCHEMBL1553885 0.71 CASP3 (0.46) ALDH1A1CASP3EHMT2EHMT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060286626-A1 Selective chromophores WESTMAN GUNNAR 2006-12-21 US claimed
EP-1509508-A1 SELECTIVE CHROMOPHORES Westman, Gunnar (SE) 2005-03-02 EP claimed
WO-2003104210-A1 SELECTIVE CHROMOPHORES CHALMERS TECHNOLOGY LICENSING AB (SE) 2003-12-18 WO claimed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP claimed
US-4808713-A Anthypertensive pyridazo [1,2-a][1,2]diazepines HOFFMAN-LA ROCHE INC. (US) 1989-02-28 US claimed
US-4772701-A Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1988-09-20 US claimed
US-4749688-A Use of neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-06-07 US claimed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP claimed
US-4658024-A Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1987-04-14 US claimed
US-4512924-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-23 US claimed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20060286626-A1 Selective chromophores WESTMAN GUNNAR 2006-12-21 US disclosed
US-20050272649-A1 Conjoint administration of morphogens and ACE inhibitors in treatment of chronic renal failure STRYKER CORPORATION 2005-12-08 US disclosed
EP-1578360-A2 CONJOINT ADMINISTRATION OF MORPHOGENS AND ACE INHIBITORS IN TREATMENT OF CHRONIC RENAL FAILURE Curis, Inc. (US) 2005-09-28 EP disclosed
EP-1509508-A1 SELECTIVE CHROMOPHORES Westman, Gunnar (SE) 2005-03-02 EP disclosed
US-4512924-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-23 US disclosed
EP-0131314-A1 Reactive monoazo dyestuffs MITSUBISHI KASEI CORPORATION (JP) 1985-01-16 EP disclosed
US-4229456-A SUPPRESSION OF GASTRIC SECRETIONS MERCK & CO., INC. (US) 1980-10-21 US disclosed
EP-0000490-A1 Substituted naphthyridinones, processes for their preparations and therapeutical applications MERCK & CO. INC. (US) 1979-02-07 EP disclosed
US-4133885-A GASTRIC SECRETIONS INHIBITORS MERCK & CO., INC. (US) 1979-01-09 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-20060286626-A1 Selective chromophores MKI67, TUBB6, BOD1L1 ALDH1A1 530/4885CASP3 994/4885EHMT2 4364/4885
US-20050272649-A1 Conjoint administration of morphogens and ACE inhibitors in treatment of chronic renal failure BMPR2, BMP2, BMP1 ALDH1A1 1747/4885CASP3 1459/4885EHMT2 2869/4885

“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.