SCHEMBL3675405

SCHEMBL3675405

Nc1oc2ccccc2c(=O)c1-c1cccc2sc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
KDM4E B2RXH2 3/20 0.43
NTRK1 P04629 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOA P21397 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BRDT Q58F21 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20821689 0.75 BRDT (0.44) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL22376046 0.73 KEAP1 (0.42) KDM4ETHRBMEN1KMT2AMAPT
SCHEMBL23426703 0.72 BRDT (0.43) MEN1KMT2AMAPTBRDTPOLB
SCHEMBL20821581 0.72 ALOX5 (0.50) MAOABRDT
Xanthone SCHEMBL9175420 0.71 MAOA (0.72) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL23427074 0.71 BRDT (0.37) CA1CA2MEN1KMT2AMAPT
SCHEMBL24519053 0.71 BRDT (0.40) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL30550557 0.71 GPR3 (0.59) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL16553298 0.71 GPR3 (0.59) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL4261482 0.70 CA1 (1.00) CA1CA2KDM4ENTRK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176254-A1 DNA PK INHIBITORS Kudos Pharmaceuticals Limited (GB) 2010-04-21 EP disclosed
US-20090042865-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-02-12 US disclosed
WO-2009010761-A1 DNA PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-01-22 WO 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-20090042865-A1 DNA-PK INHIBITORS DNA2, PKN2, TOP1 CA1 4158/4885CA2 3327/4885KDM4E 348/4885

“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.