SCHEMBL16639776

SCHEMBL16639776

Cc1cccn2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ NAMPT P43490 12/20 0.58
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 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
SCHEMBL21396318 0.78 MAPK1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL15246315 0.77 NAMPT (0.66) NAMPTALDH1A1KDM4EMEN1PRNP
SCHEMBL16639775 0.77 NAMPT (0.65) POLBNAMPTALDH1A1MEN1THRB
SCHEMBL16639778 0.77 ALDH1A1 (0.63) NAMPTALDH1A1KDM4ELMNAGAA
SCHEMBL15530561 0.73 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL16639790 0.73 ALDH1A1 (0.61) POLBNAMPTALDH1A1KDM4EHPGD
SCHEMBL15246323 0.73 ALDH1A1 (0.60) POLBNAMPTALDH1A1
SCHEMBL15246292 0.73 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL25040298 0.71 NAMPT (0.62) NAMPTALDH1A1KDM4ELMNAGAA
SCHEMBL27312618 0.71 ALDH1A1 (0.88) POLBNAMPTALDH1A1KDM4ELMNA

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 2 patents. 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
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 4160/4885NAMPT 759/4885ALDH1A1 2737/4885

“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.

Send feedback