SCHEMBL10220439

SCHEMBL10220439

CC[n+]1cccc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.43
APAF1 O14727 1/20 0.43
XBP1 P17861 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 2/20 0.42
PABPC1 P11940 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 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
SCHEMBL10307407 0.85 KMT2A (0.53) APOBEC3AAPOBEC3GGLAALDH1A1LMNA
SCHEMBL10316134 0.83 GLA (0.47) GLAALDH1A1LMNAHSP90AA1NPSR1
Iodide SCHEMBL1789272 0.83 KMT2A (0.52) APOBEC3AAPOBEC3GGLAALDH1A1LMNA
SCHEMBL677578 0.83 NPSR1 (0.61) HSP90AA1NPSR1KMT2AATML3MBTL1
Hydrochloric Acid SCHEMBL28336416 0.83 KMT2A (0.52) APOBEC3AAPOBEC3GGLAALDH1A1LMNA
SCHEMBL14621511 0.81 APOBEC3A (0.58) APOBEC3AAPOBEC3GGLAALDH1A1LMNA
SCHEMBL14621506 0.80 APOBEC3A (0.53) APOBEC3AAPOBEC3GGLAHSP90AA1NPSR1
SCHEMBL10307403 0.80 ALDH1A1 (0.59) GLAALDH1A1LMNAHSP90AA1HTT
SCHEMBL10307398 0.79 GLA (0.69) GLAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL16115507 0.79 KMT2A (0.57) APOBEC3AAPOBEC3GGLAALDH1A1LMNA

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-8106184-B2 Nicotinoyl riboside compositions and methods of use CORNELL UNIVERSITY (US) 2012-01-31 US disclosed
US-20070117765-A1 Nicotinoyl riboside compositions and methods of use CORNELL RESEARCH FOUNDATION INC. 2007-05-24 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 (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-20070117765-A1 Nicotinoyl riboside compositions and methods of use NNT, CD38, NAMPT APOBEC3A 1443/4885APOBEC3G 1110/4885GLA 973/4885

“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.