SCHEMBL1543050

SCHEMBL1543050

Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 4/20 0.57
PKM P14618 1/20 0.57
MAPK8 P45983 1/20 0.57
RAB9A P51151 5/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 4/20 0.56
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL1034301 0.81 HPGD (0.60) HPGDLMNAMAPTCYP1A2ALDH1A1
SCHEMBL1542654 0.81 ALDH1A1 (0.58) HPGDLMNAMAPTALDH1A1PKM
SCHEMBL1542696 0.79 ALDH1A1 (0.67) HPGDLMNAMAPTALDH1A1RAB9A
SCHEMBL1543434 0.79 ALDH1A1 (0.52) HPGDLMNAMAPTALDH1A1RAB9A
SCHEMBL1543517 0.78 NPC1 (0.62) HPGDLMNAMAPTALDH1A1RAB9A
SCHEMBL24072353 0.76 CYP3A4 (0.81) HPGDLMNACYP1A2ALDH1A1PKM
SCHEMBL30339046 0.76 CYP3A4 (0.81) HPGDLMNACYP1A2ALDH1A1PKM
SCHEMBL1543123 0.76 RAB9A (0.59) HPGDLMNAALDH1A1PKMRAB9A
SCHEMBL1542906 0.75 GAA (0.59) LMNAMAPTCYP1A2ALDH1A1RAB9A
SCHEMBL1542703 0.75 SLC12A2 (0.52) LMNAMAPTALDH1A1RAB9AKMT2A

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 HPGD 19/4885LMNA 1347/4885MAPT 1518/4885

“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.