SCHEMBL4094095

SCHEMBL4094095

NC(C(=O)Cl)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7121169 0.86 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL26395989 0.86 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL31222070 0.86 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL27587697 0.86 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL28758363 0.81 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL17753728 0.81 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL7037298 0.81 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL27861227 0.81 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL31360781 0.81 EPHX2 (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL29349891 0.80 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 KMT2A 3294/4885FABP5 1941/4885FABP7 2903/4885

“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.