SCHEMBL4094181

SCHEMBL4094181

NC(=S)N/N=C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
GAA P10253 4/20 0.71
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PKM P14618 1/20 0.62
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 2/20 0.58
ATM Q13315 1/20 0.57

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
SCHEMBL4094186 1.00 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL4094184 1.00 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1206597 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1206598 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1435542 0.79 NPSR1 (0.63) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1435543 0.79 NPSR1 (0.63) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1435539 0.79 NPSR1 (0.63) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL4726328 0.77 RAB9A (0.60) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL1435562 0.77 MAPT (0.67) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1435564 0.77 MAPT (0.67) ALDH1A1KMT2AMEN1MAPTPOLB

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 ALDH1A1 625/4885KMT2A 3202/4885MEN1 1055/4885

“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.