SCHEMBL1435564

SCHEMBL1435564

NC(=S)NN=CC=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP1A2 P05177 1/20 0.64
POLB P06746 3/20 0.61
NPSR1 Q6W5P4 3/20 0.60
HTT P42858 3/20 0.60
EGFR P00533 1/20 0.60
LMNA P02545 4/20 0.58
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MCL1 Q07820 1/20 0.56
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
MAOB P27338 1/20 0.53
NFE2L2 Q16236 1/20 0.50
MAPK1 P28482 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
SCHEMBL1435562 1.00 MAPT (0.67) MAPTALDH1A1CYP1A2POLBNPSR1
SCHEMBL1435566 1.00 MAPT (0.67) MAPTALDH1A1CYP1A2POLBNPSR1
SCHEMBL4094074 0.84 MAPT (0.70) MAPTALDH1A1POLBNPSR1HTT
SCHEMBL4094068 0.84 MAPT (0.70) MAPTALDH1A1POLBNPSR1HTT
SCHEMBL4094070 0.84 MAPT (0.70) MAPTALDH1A1POLBNPSR1HTT
SCHEMBL13611411 0.84 MAPT (0.70) MAPTALDH1A1POLBNPSR1HTT
SCHEMBL1435897 0.79 POLB (0.70) POLBNPSR1HTTMAOB
SCHEMBL1435899 0.79 POLB (0.70) POLBNPSR1HTTMAOB
SCHEMBL1435898 0.79 POLB (0.70) POLBNPSR1HTTMAOB
SCHEMBL1435494 0.79 POLB (0.70) MAPTALDH1A1POLBNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed
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 31/4885ALDH1A1 625/4885CYP1A2 1784/4885

“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.