SCHEMBL4526064

SCHEMBL4526064

O=C(Nc1ccsc1C(=O)O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2C9 P11712 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
SERPINE1 P05121 1/20 0.57
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
DEGS1 O15121 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC1 Q13547 1/20 0.51
NAMPT P43490 1/20 0.48

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
SCHEMBL4067562 0.86 ALDH1A1 (0.65) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL4520626 0.78 KDM4E (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2747281 0.78 KDM1A (0.55) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL16714080 0.77 KMT2A (0.74) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL13789283 0.76 KMT2A (1.00) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL4743665 0.76 KMT2A (0.73) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL4742792 0.76 KMT2A (1.00) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL13789346 0.76 KMT2A (0.73) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL422315 0.76 SERPINE1 (0.81) KMT2AMEN1ALDH1A1SERPINE1HDAC8
SCHEMBL29838729 0.76 SERPINE1 (0.81) KMT2AMEN1ALDH1A1SERPINE1HDAC8

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-20090325933-A1 Pyrimidinone Derivatives and Their Use as a Drug IPSEN PHARMA S.A.S. (FR) 2009-12-31 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-20090325933-A1 Pyrimidinone Derivatives and Their Use as a Drug CNR1, CNR2, GPR18 KMT2A 2412/4885MEN1 3878/4885NPC1 970/4885

“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.