SCHEMBL10286996

SCHEMBL10286996

O=Nc1cnc(NC(=O)c2ccc(-c3cccs3)o2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.54
MGAM O43451 9/20 0.46
GAA P10253 9/20 0.46
SI P14410 9/20 0.46
MGAM2 Q2M2H8 9/20 0.46
MEN1 O00255 6/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
HCRTR1 O43613 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 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
SCHEMBL10252888 0.84 NPC1 (0.64) S1PR4MGAMGAASIMGAM2
SCHEMBL881750 0.81 NPC1 (0.64) S1PR4MGAMGAASIMGAM2
SCHEMBL10286990 0.77 NPC1 (0.67) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL10287172 0.72 RAB9A (0.39) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL27623968 0.72 S1PR4 (0.58) S1PR4GAAMEN1MAPTKMT2A
SCHEMBL24073708 0.70 KDR (0.64) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL375593 0.68 S1PR4 (0.57) S1PR4MEN1MAPTKMT2AALDH1A1
SCHEMBL10286992 0.67 KMT2A (0.57) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL19632762 0.67 STAT3 (0.61) GAAMEN1KMT2AALDH1A1TP53
SCHEMBL27135218 0.67 CYP1A2 (0.55) MEN1MAPTKMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 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-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 S1PR4 4787/4885MGAM 1009/4885GAA 3124/4885

“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.