SCHEMBL3575246

SCHEMBL3575246

COc1ccc(CN(C#N)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ PYCR1 P32322 1/20 0.51
▸ APLNR P35414 2/20 0.50
▸ IDO1 P14902 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ AGXT P21549 2/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ AOC3 Q16853 1/20 0.43

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
SCHEMBL27210382 0.86 PYCR1 (0.64) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL5270803 0.76 APLNR (0.59) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL12049800 0.76 APLNR (0.59) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL15662442 0.76 PYCR1 (0.70) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL28461690 0.74 PYCR1 (0.50) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL17731596 0.74 PYCR1 (0.43) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL4466768 0.74 IDO1 (0.49) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL4611890 0.74 PYCR1 (0.69) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL385286 0.74 HRH3 (0.58) ALDH1A1PYCR1APLNRIDO1LMNA
SCHEMBL19204903 0.72 APLNR (0.55) ALDH1A1PYCR1APLNRIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013003315-A2 METHODS FOR PREPARING ISOQUINOLINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-03 — — WO disclosed
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 — — US disclosed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 — — EP disclosed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 — — US disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 — — EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 — — 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 (1 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-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof PNPO, CYP2D6, DPYD ALDH1A1 628/4885PYCR1 118/4885APLNR 2986/4885

“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.

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