SCHEMBL1543517

SCHEMBL1543517

Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52

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
SCHEMBL1543434 0.83 ALDH1A1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL77570 0.79 NPC1 (0.76) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1542703 0.79 SLC12A2 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1543050 0.78 HPGD (0.63) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL77592 0.78 SMN1; SMN2 (0.77) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1542696 0.76 ALDH1A1 (0.67) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1542689 0.76 MEN1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1542654 0.75 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1543304 0.75 MEN1 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20791868 0.75 NPC1 (0.62) NPC1RAB9AMEN1KMT2AALDH1A1

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 NPC1 236/4885RAB9A 2122/4885MEN1 2257/4885

“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.