SCHEMBL1314971

SCHEMBL1314971

Nc1ccc(NC(=S)Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 7/20 0.52
GAA P10253 5/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
RRM1 P23921 1/20 0.49
RRM2 P31350 1/20 0.49
RRM2B Q7LG56 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5452586 0.88 MAPT (0.65) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6815123 0.84 GAA (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1311622 0.84 CXCR1 (0.62) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL15347550 0.80 MAPT (0.62) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7171202 0.79 MAPK1 (0.74) MAPTMEN1KMT2ARAB9AL3MBTL1
SCHEMBL1314972 0.79 ALDH1A1 (0.73) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29838526 0.77 MEN1 (0.62) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1883671 0.77 MEN1 (0.62) MAPTMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL8764180 0.75 MEN1 (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1311643 0.75 CA12 (0.55) MAPTMEN1KMT2AALDH1A1GAA

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 MAPT 833/4885MEN1 889/4885KMT2A 1419/4885

“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.