SCHEMBL4094068

SCHEMBL4094068

NC(=S)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.70
MAOB P27338 1/20 0.70
POLB P06746 4/20 0.64
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
CTDSP1 Q9GZU7 2/20 0.59
HPGD P15428 1/20 0.59
PTK2B Q14289 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
EGFR P00533 1/20 0.56
APP P05067 1/20 0.53
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MCL1 Q07820 1/20 0.50

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
SCHEMBL4094070 1.00 MAPT (0.70) MAPTMAOBPOLBHTTNPSR1
SCHEMBL4094074 1.00 MAPT (0.70) MAPTMAOBPOLBHTTNPSR1
SCHEMBL1435562 0.84 MAPT (0.67) MAPTMAOBPOLBHTTNPSR1
SCHEMBL1435566 0.84 MAPT (0.67) MAPTMAOBPOLBHTTNPSR1
SCHEMBL1435564 0.84 MAPT (0.67) MAPTMAOBPOLBHTTNPSR1
SCHEMBL4102146 0.79 POLB (0.73) MAPTPOLBHTTNPSR1APP
SCHEMBL4102144 0.79 POLB (0.73) MAPTPOLBHTTNPSR1APP
SCHEMBL4102143 0.79 POLB (0.73) MAPTPOLBHTTNPSR1APP
SCHEMBL1435884 0.78 POLB (0.71) MAPTMAOBPOLBHTTNPSR1
SCHEMBL4090522 0.78 POLB (0.71) MAPTPOLBHTTNPSR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP claimed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP MAPT 31/4885MAOB 47/4885POLB 4234/4885

“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.