SCHEMBL123648

SCHEMBL123648

O=C1CNC(=O)c2nccnc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CDC7 O00311 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
SCHEMBL7754905 0.76 LMNA (0.31) ALDH1A1CA12CA9CDC7
SCHEMBL5002981 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL3500581 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL1388602 0.69
SCHEMBL12210337 0.68 TDP1 (0.45) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4304574 0.68
SCHEMBL29919879 0.67 CA12 (0.50) KMT2AKDM4EMEN1CA12CA9
SCHEMBL2704680 0.67 CA12 (0.50) KMT2AKDM4EMEN1CA12CA9
SCHEMBL12702631 0.67 MAPK13 (0.38) ALDH1A1
SCHEMBL12702805 0.67 MAPK13 (0.38) ALDH1A1

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-9186349-B2 Diaza heterocyclic compounds for phototherapy MALLINCKRODT LLC (US) 2015-11-17 US disclosed
US-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy OCERA THERAPEUTICS LLC 2012-03-08 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-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy BAD, BID, CASP3 HPGD 459/4885ALDH1A1 544/4885KMT2A 423/4885

“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.