SCHEMBL974212

SCHEMBL974212

CCc1cn2cc[c]cc2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL975927 0.83 KDM4E (0.37) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL975075 0.81 TSHR (0.37) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL977789 0.75 HDAC1 (0.36) TP53SMN1; SMN2
SCHEMBL974075 0.74 KDM4E (0.39) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL423547 0.72 NPC1 (0.58) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL12223303 0.70 DRD2 (0.47) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL12329335 0.69 KDM4E (0.65) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL10066413 0.68 PDE10A (0.54) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL13080648 0.68 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL13080280 0.68 METTL3 (0.46) KDM4EALDH1A1TDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 KDM4E 246/4885ALDH1A1 1251/4885TDP1 1292/4885

“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.