SCHEMBL19600489

SCHEMBL19600489

CCc1cc(CN2CCNCCN(Cc3cc(CC)cc(C(=O)OC)n3)CCNCC2)nc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM3 P20309 6/20 0.41
CXCR4 P61073 2/20 0.39
SCN9A Q15858 1/20 0.39
SYK P43405 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL19600494 0.95 KDM5C (0.41) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL19600488 0.95 KDM5C (0.41) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL19600492 0.87 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL19013073 0.84 MEN1 (0.41) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL17481786 0.84 MEN1 (0.41) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL22167004 0.79 SYK (0.39) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL22166986 0.79 CXCR4 (0.52) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL19600493 0.78 GABRP (0.42) KDM4EALDH1A1NPSR1
SCHEMBL19975760 0.78 KDM5C (0.43) KDM5CKDM4CMEN1KMT2ACHRM3
SCHEMBL15894999 0.76 CHRM3 (0.41) KDM5CKDM4CCHRM3SYKMCHR1

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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 KDM5C 3609/4885KDM4C 2880/4885MEN1 2494/4885

“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.