SCHEMBL4294522

SCHEMBL4294522

CS(=O)(=O)CCC(N)[C@@H]1CCN(c2ccc(N)cc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
RAD52 P43351 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
NOTUM Q6P988 1/20 0.36
RECQL P46063 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
ACACB O00763 2/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL4258521 0.85 RECQL (0.54) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL4257377 0.82 GFER (0.40) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL4294523 0.76 ALDH1A1 (0.49) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL1749921 0.68 ALDH1A1 (0.61) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL29990026 0.68 ALDH1A1 (1.00) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL17264124 0.68 ALDH1A1 (0.75) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL13961606 0.67 MAPT (0.62) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL12074538 0.66 ALDH1A1 (0.73) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL20180748 0.66 ALDH1A1 (0.62) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL15358686 0.65 ALDH1A1 (0.81) ALDH1A1HTTMAPTKDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885HTT 1083/4885MAPT 4710/4885

“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.