SCHEMBL1542689

SCHEMBL1542689

CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)nc3C)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
PARP1 P09874 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SCD O00767 1/20 0.43

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
SCHEMBL10524859 0.80 KDM4E (0.72) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL1543434 0.77 ALDH1A1 (0.52) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL9430654 0.76 NPC1 (0.57) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL1543517 0.76 NPC1 (0.62) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL9430903 0.75 KMT2A (0.68) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL3607773 0.75 KMT2A (0.68) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL1542703 0.73 SLC12A2 (0.52) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL1542925 0.73 MEN1 (0.53) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL10518979 0.72 ALDH1A1 (0.67) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL1543304 0.72 MEN1 (0.57) MEN1KMT2AKDM4EMAPTHSD17B10

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 MEN1 2257/4885KMT2A 3206/4885KDM4E 3753/4885

“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.