SCHEMBL1543434

SCHEMBL1543434

CC(=O)c1csc(NC(=O)c2ccc(-c3ccccc3)nc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
NOD2 Q9HC29 1/20 0.47
PARP1 P09874 2/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SCD O00767 1/20 0.46
RECQL P46063 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
SCHEMBL1543517 0.83 NPC1 (0.62) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542703 0.80 SLC12A2 (0.52) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1543050 0.79 HPGD (0.63) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542696 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542689 0.77 MEN1 (0.53) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542654 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1543304 0.76 MEN1 (0.57) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542925 0.76 MEN1 (0.53) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1542906 0.74 GAA (0.59) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1543141 0.73 BRPF1 (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US claimed
JP-2011524894-A 2011-09-08 JP claimed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP claimed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO claimed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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 (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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ALDH1A1 172/4885MEN1 2257/4885KMT2A 3206/4885

“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.