SCHEMBL4291603

SCHEMBL4291603

O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 3/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.47
SLC6A5 Q9Y345 6/20 0.44
SLC6A9 P48067 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
DPP4 P27487 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
SCHEMBL852833 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL31727050 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL14131396 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL12352613 0.80 SMN1; SMN2 (0.53) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL21835147 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL14480205 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL14131692 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL3026496 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTTHRBLMNA
SCHEMBL854061 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14464189 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AMAPTTHRBLMNA

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 1961/4885KMT2A 888/4885MAPT 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.