SCHEMBL14490487

SCHEMBL14490487

O=C(NC(=O)C1CCCN1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GPR6 P46095 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44

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
SCHEMBL8397188 0.83 CTSC (0.49) HDAC1TSHRGAA
SCHEMBL6204294 0.80 ALDH1A1 (0.51) HTTALDH1A1HDAC1HDAC6GPR6
SCHEMBL13570425 0.79 ITGB3 (0.52) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL29129911 0.78 ITGB3 (0.59) ALDH1A1ITGB3ITGAVITGA2BCHRNB2
SCHEMBL28570403 0.78 ITGB3 (0.59) ALDH1A1ITGB3ITGAVITGA2BCHRNB2
Niacin SCHEMBL29993073 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL6203419 0.78 HDAC1 (0.49) ALDH1A1HDAC1HDAC6MAPT
SCHEMBL3456328 0.77 MAPT (0.51) HTTALDH1A1MAPTSMN1; SMN2ITGB3
SCHEMBL1543355 0.77 GRM5 (0.52) HTTALDH1A1L3MBTL1MAPTSMN1; SMN2
Niacin SCHEMBL18244432 0.76 CHRNB2 (0.44) ALDH1A1L3MBTL1MAPTSMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 THE PROCTER & GAMBLE COMPANY 2007-06-07 US disclosed
US-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 THE PROCTER & GAMBLE COMPANY 2007-06-07 US disclosed
WO-2007064762-A2 CONJUGATES OF AMINO ACIDS AND VITAMIN B3 FOR PERCUTANEOUS DELIVERY OF VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2007-06-07 WO disclosed
EP-1792630-A1 Conjugates of amino acids and vitamin B3 for percutaneous delivery of vitamin B3 The Procter & Gamble Company (US) 2007-06-06 EP 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-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 SLC1A5, SLC19A1, PLPBP HTT 3440/4885ALDH1A1 1215/4885HDAC1 4718/4885

“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.