SCHEMBL16644239

SCHEMBL16644239

Cc1cc(C)n2nc(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
FGB P02675 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
PABPC1 P11940 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
NAMPT P43490 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL15246125 0.92 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL15246118 0.91 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL16644184 0.84 HPGD (0.64) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL16644189 0.80 TP53 (0.53) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL16644220 0.79 NAMPT (0.56) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL16639773 0.75 ALDH1A1 (0.62) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL16639781 0.75 TP53 (0.56) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL24477293 0.74 APOBEC3A (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16639792 0.74 ALDH1A1 (0.61) POLBKMT2AMEN1ALDH1A1FGB
SCHEMBL16639850 0.73 NAMPT (0.54) POLBKMT2AMEN1ALDH1A1FGB

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-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 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-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS POLB 4160/4885KMT2A 2980/4885MEN1 3017/4885

“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.