SCHEMBL823337

SCHEMBL823337

[C-]#[N+]c1c[nH]n2c(=O)c(O)c(C(=O)NCc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CNR1 P21554 10/20 0.40
CNR2 P34972 10/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL823389 0.85 MEN1 (0.44) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL823338 0.85 MEN1 (0.51) MEN1KMT2AHSD17B10MAPTHPGD
SCHEMBL826802 0.83 KDM5A (0.52) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL823360 0.82 HSD17B10 (0.45) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL823557 0.73 MEN1 (0.44) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL823344 0.72 NPC1 (0.43) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL823335 0.72 SMN1; SMN2 (0.43) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL823362 0.71 CNR1 (0.45) MEN1KMT2AHPGDTSHRCNR1
SCHEMBL823456 0.71 NR1I3 (0.52) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL5647057 0.71 CNR1 (0.42) MEN1KMT2AHPGDTSHRCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD MEN1 1774/4885KMT2A 2241/4885HSD17B10 1416/4885

“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.