SCHEMBL322110

SCHEMBL322110

COc1c(C)c(C(=O)c2ccc3[nH]c(=O)n(C4(C(=O)N(C)C)CC4)c(=O)c3c2)n2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 3/20 0.31
POLB P06746 1/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL31161068 0.92 ALDH1A1 (0.32) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL14916577 0.82 BRD4 (0.40) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL321863 0.82 CA12 (0.41) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL321471 0.81 ALDH1A1 (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL31161039 0.81 SMN1; SMN2 (0.36) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL14917190 0.78 NPC1 (0.40) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL14916426 0.78 MAPT (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL17004133 0.78 HTT (0.37) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL12505752 0.77 CA12 (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL14916185 0.76 HTT (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2

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
EP-2590975-B1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-08-19 EP disclosed
US-8859544-B2 Indolizine derivatives, process for the preparation thereof and therapeutic use thereof SANOFI (FR) 2014-10-14 US disclosed
EP-2590975-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-15 EP disclosed
US-20130116249-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
WO-2012004731-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-01-12 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-20130116249-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, INMT, IDO1 ALDH1A1 3536/4885MAPT 961/4885HTT 1454/4885

“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.