SCHEMBL4290276

SCHEMBL4290276

O=[N+]([O-])c1ccc(N2CCC3(CCNC3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.63
SIRT6 Q8N6T7 2/20 0.56
ADRB1 P08588 1/20 0.56
ALDH1A1 P00352 6/20 0.53
USP2 O75604 6/20 0.53
CYP2D6 P10635 6/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 4/20 0.52
TP53 P04637 3/20 0.52
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CRBN Q96SW2 2/20 0.52
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4290270 1.00 ESRRG (0.63) ESRRGSIRT6ADRB1ALDH1A1USP2
SCHEMBL30984901 0.92 SIRT6 (0.63) ESRRGSIRT6ADRB1ALDH1A1USP2
SCHEMBL31748079 0.91 ALDH1A1 (0.60) ESRRGSIRT6ADRB1ALDH1A1USP2
SCHEMBL10035909 0.86 SIRT6 (0.71) ESRRGSIRT6ADRB1ALDH1A1USP2
SCHEMBL21526328 0.84 SIRT6 (0.64) ESRRGSIRT6ADRB1ALDH1A1CRBN
SCHEMBL22466180 0.84 MAPT (0.57) ESRRGSIRT6ADRB1ALDH1A1CRBN
SCHEMBL25447124 0.81 SIRT6 (0.58) ESRRGSIRT6ADRB1ALDH1A1CRBN
SCHEMBL30985111 0.80 MEN1 (0.53) ESRRGSIRT6ADRB1ALDH1A1CRBN
SCHEMBL1426558 0.80 CYP2D6 (0.61) ESRRGADRB1ALDH1A1USP2CYP2D6
SCHEMBL25797079 0.79 CRBN (0.52) SIRT6ADRB1ALDH1A1CRBNMAPT

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 ESRRG 3094/4885SIRT6 2053/4885ADRB1 35/4885

“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.