SCHEMBL13740813

SCHEMBL13740813

COc1ccc(S(=O)(=O)N2CCC(CCCCNC(=O)c3cc4cnccc4[nH]3)CC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.57
▸ CYP2C9 P11712 2/20 0.49
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL13739924 0.93 NAMPT (0.58) NAMPTCYP2C9HDAC3HDAC4HDAC1
SCHEMBL13739163 0.92 NAMPT (0.56) NAMPTCYP2C9HDAC3HDAC4HDAC1
SCHEMBL13740735 0.92 NAMPT (0.58) NAMPTCYP2C9HDAC3HDAC4HDAC1
SCHEMBL13739313 0.91 NAMPT (0.60) NAMPTCYP2C9
SCHEMBL13739309 0.90 NAMPT (0.59) NAMPTCYP2C9
SCHEMBL13738874 0.89 NAMPT (0.59) NAMPTCYP2C9
SCHEMBL13739613 0.89 NAMPT (0.62) NAMPTCYP2C9
SCHEMBL13738354 0.88 NAMPT (0.55) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL13739985 0.88 NAMPT (0.59) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL13739328 0.88 NAMPT (0.64) NAMPTCYP2C9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US claimed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 — — US claimed
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO HEALTH, INC. 2014-09-04 — — US claimed
WO-2012154194-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) FORMA TM, LLC (US) 2012-11-15 — — WO claimed
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 — — US disclosed
WO-2020191359-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2020-09-24 — — WO disclosed
US-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO EARLY DISCOVERY, INC. 2019-01-31 — — US disclosed
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US disclosed
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US disclosed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 — — US disclosed
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO HEALTH, INC. 2014-09-04 — — US disclosed
WO-2012154194-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) FORMA TM, LLC (US) 2012-11-15 — — 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 (4 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-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT NAMPT 1/4885CYP2C9 3999/4885HDAC3 313/4885
US-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1616/4885HDAC3 218/4885
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1616/4885HDAC3 218/4885
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1195/4885HDAC3 230/4885

“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.

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