SCHEMBL29944324

SCHEMBL29944324

COc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
TSHR P16473 5/20 0.74
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.69
GAA P10253 2/20 0.69
NPBWR1 P48145 1/20 0.69
POLB P06746 1/20 0.69
HPGD P15428 1/20 0.69
RAB9A P51151 1/20 0.69
PKM P14618 1/20 0.67
MEN1 O00255 1/20 0.65
MAPT P10636 1/20 0.64
RECQL P46063 1/20 0.64
NPC1 O15118 1/20 0.63

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
SCHEMBL8223716 0.84 KMT2A (0.69) KMT2ATSHRKDM4EALDH1A1GAA
SCHEMBL29575490 0.84 GAA (0.97) KMT2ATSHRKDM4EALDH1A1GAA
SCHEMBL26100269 0.83 KMT2A (0.67) KMT2ATSHRALDH1A1MEN1MAPT
SCHEMBL7252459 0.83 KMT2A (0.67) KMT2ATSHRALDH1A1HPGDMEN1
SCHEMBL18711913 0.82 KMT2A (0.66) KMT2ATSHRKDM4EALDH1A1GAA
Ammonia Solution, Strong SCHEMBL26132989 0.82 KMT2A (0.66) KMT2ATSHRALDH1A1MEN1MAPT
SCHEMBL7252394 0.81 KMT2A (0.64) KMT2ATSHRALDH1A1HPGDMEN1
SCHEMBL7661191 0.80 RAB9A (0.72) KMT2ATSHRKDM4EALDH1A1GAA
SCHEMBL29951820 0.80 TSHR (0.67) KMT2ATSHRKDM4EALDH1A1GAA
SCHEMBL1001171 0.80 RAB9A (0.72) KMT2ATSHRKDM4EALDH1A1GAA

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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT KMT2A 888/4885TSHR 3065/4885KDM4E 2054/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT KMT2A 888/4885TSHR 3065/4885KDM4E 2054/4885

“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.