SCHEMBL240611

SCHEMBL240611

O=C1c2ccccc2C(=O)N1Cc1ccncn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 2/20 0.68
PKM P14618 1/20 0.68
CYP1B1 Q16678 3/20 0.65
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.44
GLS O94925 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TYR P14679 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30711693 0.81 ALDH1A1 (1.00) MEN1KMT2AALDH1A1PKMCYP1B1
SCHEMBL2959641 0.81 ALDH1A1 (1.00) MEN1KMT2AALDH1A1PKMCYP1B1
SCHEMBL31036011 0.79 TDP1 (0.56) MEN1KMT2ACYP1B1MAPTHSD17B10
SCHEMBL29263664 0.79 TDP1 (0.56) MEN1KMT2ACYP1B1MAPTHSD17B10
SCHEMBL245402 0.77 MEN1 (0.68) MEN1KMT2AALDH1A1PKMCYP1B1
SCHEMBL6165776 0.75 CASP3 (0.62) MEN1KMT2AALDH1A1PKMCYP1B1
SCHEMBL29411233 0.74 MEN1 (0.55) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL798047 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1PKMCYP1B1
SCHEMBL17979341 0.74 MEN1 (0.55) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL22290229 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1PKMCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 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 (2 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MEN1 4841/4885KMT2A 773/4885ALDH1A1 433/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MEN1 4876/4885KMT2A 2098/4885ALDH1A1 451/4885

“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.