SCHEMBL1314972

SCHEMBL1314972

Nc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
SMN1; SMN2 Q16637 8/20 0.73
MAPT P10636 8/20 0.59
LMNA P02545 6/20 0.59
HTT P42858 5/20 0.59
GAA P10253 2/20 0.59
ALOX12 P18054 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
RAB9A P51151 1/20 0.58
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
GLA P06280 1/20 0.55
CYP19A1 P11511 1/20 0.55
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6301912 0.91 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL14633632 0.91 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6297678 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6819562 0.85 KMT2A (0.72) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL458335 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL1311708 0.84 MEN1 (0.82) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL4050791 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL5078630 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL7642168 0.83 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL30542215 0.83 MEN1 (0.80) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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
EP-2385831-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT The UAB Research Foundation (US) 2011-11-16 EP claimed
US-20110254866-A1 INFORMATION PROCESSING APPARATUS, METHOD AND PROGRAM THEREFORE SONY CORPORATION (JP) 2011-10-20 US claimed
WO-2010123591-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2010-10-28 WO claimed
EP-2385831-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT The UAB Research Foundation (US) 2011-11-16 EP disclosed
US-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2011-11-10 US disclosed
US-20110254866-A1 INFORMATION PROCESSING APPARATUS, METHOD AND PROGRAM THEREFORE SONY CORPORATION (JP) 2011-10-20 US disclosed
WO-2010123591-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2010-10-28 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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT NAMPT, NAPRT, NNT ALDH1A1 1835/4885SMN1; SMN2 3153/4885MAPT 833/4885

“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.