SCHEMBL3675404

SCHEMBL3675404

Nc1oc2ccccc2c(=O)c1-c1cccc(SCc2ccccc2)c1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NTRK1 P04629 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
THRB P10828 1/20 0.39
DDR2 Q16832 1/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
PGAM1 P18669 1/20 0.36
MAOA P21397 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 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
SCHEMBL6050865 0.73 MAPT (0.38) POLBMEN1KMT2AKDM4EELANE
SCHEMBL16670318 0.72 POLB (0.55) CA1CA2POLBMEN1KMT2A
SCHEMBL4261482 0.69 CA1 (1.00) CA1CA2MEN1KMT2AKDM4E
SCHEMBL16670248 0.69 POLB (0.52) CA1CA2POLBMEN1KMT2A
SCHEMBL3675405 0.67 CA1 (0.54) CA1CA2POLBMEN1KMT2A
SCHEMBL6366697 0.66 POLB (0.52) CA1CA2POLBMEN1KMT2A
SCHEMBL15953118 0.66 POLB (0.55) CA1CA2POLBMEN1KMT2A
SCHEMBL8945552 0.65 NQO1 (0.58) MEN1KMT2AKDM4EELANEALDH1A1
SCHEMBL28906179 0.64 MAPT (0.45) CA1CA2MEN1KMT2AKDM4E
SCHEMBL29940494 0.64 MAPT (0.45) CA1CA2MEN1KMT2AKDM4E

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 3327/4885POLB 124/4885

“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.