SCHEMBL16639788

SCHEMBL16639788

CCc1nc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2nc1CC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.59
MAPT P10636 2/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 1/20 0.58
FGB P02675 1/20 0.58
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
PABPC1 P11940 1/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
KDM1A O60341 1/20 0.58
HDAC1 Q13547 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL16639789 0.84 NAMPT (0.67) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL22166428 0.81 NAMPT (0.61) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL16639796 0.81 KMT2A (0.58) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL16639801 0.79 NAMPT (0.82) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL15246205 0.79 NAMPT (0.61) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL15246489 0.79 HTT (0.66) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL15246490 0.79 NAMPT (0.58) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL16644241 0.75 TP53 (0.58) NAMPTMAPTKMT2AMEN1ALDH1A1
SCHEMBL15531401 0.74 NAMPT (1.00) NAMPT
SCHEMBL19380062 0.74 GAA (0.72) NAMPTKMT2AALDH1A1KDM1AHDAC1

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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 US disclosed
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 (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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 NAMPT 459/4885MAPT 1118/4885KMT2A 2742/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885MAPT 2018/4885KMT2A 2980/4885

“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.