SCHEMBL4241173

SCHEMBL4241173

O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccc2ncn(CCN3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
MCHR1 Q99705 1/20 0.37
ENPP2 Q13822 4/20 0.36
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CISD1 Q9NZ45 1/20 0.34
ESRRA P11474 1/20 0.34
KDR P35968 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SRC P12931 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4241180 1.00 HDAC1 (0.41) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4244117 0.99 HDAC1 (0.42) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4244118 0.99 HDAC1 (0.42) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4241829 0.94 CDK9 (0.40) HDAC1ENPP2CDK9ESRRAMAPT
SCHEMBL4241832 0.94 CDK9 (0.40) HDAC1ENPP2CDK9ESRRAMAPT
SCHEMBL4242454 0.91 HDAC1 (0.40) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4242457 0.91 HDAC1 (0.40) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4249791 0.90 HDAC1 (0.41) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4249794 0.90 HDAC1 (0.41) HDAC1MCHR1ENPP2CDK9ALDH1A1
SCHEMBL4244021 0.90 ACVR1 (0.41) HDAC1CDK9ALDH1A1MAPTSRC

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
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HDAC1 2582/4885MCHR1 3365/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HDAC1 1247/4885MCHR1 4843/4885ENPP2 562/4885

“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.