SCHEMBL3315249

SCHEMBL3315249

NC(=O)C(NC1CNC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
BCAT2 O15382 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
AURKB Q96GD4 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
MC4R P32245 1/20 0.37

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
SCHEMBL5097175 0.85 OPRM1 (0.48) MEN1KMT2AOPRM1CYP3A4CYP2C9
SCHEMBL9282167 0.81 GAA (0.51) MEN1KMT2AOPRM1CYP3A4ALDH1A1
SCHEMBL6794727 0.81 GRM7 (0.51) MEN1KMT2AOPRM1CYP3A4CYP2C9
SCHEMBL3313904 0.79 OPRM1 (0.42) MEN1KMT2AOPRM1BCAT2CYP3A4
Hydrochloric Acid SCHEMBL28984872 0.74 SOS1 (0.42) SLC6A4SLC6A3MAPK1ALDH1A1HTT
SCHEMBL6023381 0.73 SLC6A4 (0.44) MEN1KMT2ASLC6A4SLC6A3CYP3A4
SCHEMBL31023924 0.71 CTSD (0.50) KMT2ABCAT2CYP3A4CYP2C9PDGFRA
SCHEMBL10211041 0.71 EPHX1 (0.46) BCAT2CYP3A4CYP2C9PDGFRAMAPK1
SCHEMBL13447469 0.71 HDAC3 (0.47) BCAT2CYP3A4CYP2C9PDGFRAMAPK1
SCHEMBL13711161 0.71 EPHX1 (0.46) BCAT2CYP3A4CYP2C9PDGFRAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 MEN1 2995/4885KMT2A 3099/4885OPRM1 16/4885

“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.