Niacinamide

Niacinamide

SCHEMBL17868377

NC(=O)c1cccnc1.[N-]=[N+]=NCCCNc1ncnc2nc[nH]c12

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ EPHB2 P29323 1/20 0.43
▸ HTT P42858 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
Niacinamide SCHEMBL17868384 0.87 LMNA (0.50) HDAC1HDAC2LMNAHSD17B10TSHR
Niacinamide SCHEMBL10685143 0.85 MKNK1 (0.52) HDAC1HDAC2LMNAHSD17B10TSHR
Niacinamide SCHEMBL17868382 0.79 MKNK1 (0.50) LMNAHSD17B10TSHRMKNK1PRMT1
Niacinamide SCHEMBL11597779 0.76 MKNK1 (0.47) LMNAHSD17B10TSHRMKNK1CYP3A4
Niacinamide SCHEMBL11707347 0.74 MKNK1 (0.45) LMNAHSD17B10TSHRMKNK1TP53
Adenine SCHEMBL15700 0.74 PI4KA (0.55) LMNAMKNK1CYP3A4HTTBRD4
Adenine SCHEMBL22748487 0.74 PI4KA (0.55) LMNAMKNK1CYP3A4HTTBRD4
Adenine SCHEMBL2564210 0.74 PI4KA (0.55) LMNAMKNK1CYP3A4HTTBRD4
Adenine SCHEMBL23531102 0.73 PI4KA (0.54) LMNAMKNK1CYP3A4HTTBRD4
Adenine SCHEMBL7712108 0.73 PI4KA (0.54) LMNAMKNK1CYP3A4HTTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196412-B2 Probe for imaging PARP-1 activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 — — US disclosed
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-30 — — US 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 (2 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-10196412-B2 Probe for imaging PARP-1 activity PARP1, PARP2, PARP12 HDAC1 73/4885HDAC2 165/4885LMNA 816/4885
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY PARP1, PARP2, PARP12 HDAC1 73/4885HDAC2 165/4885LMNA 816/4885

“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.

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