SCHEMBL1435501

SCHEMBL1435501

O=C(O)c1csc(NN=CC=Cc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
MCL1 Q07820 1/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AMY1A P0DUB6 1/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1435442 1.00 MAPT (0.56) MAPTPOLBCYP1A2MEN1KMT2A
SCHEMBL1435417 0.93 MAPT (0.52) MAPTPOLBCYP1A2MEN1KMT2A
SCHEMBL1435444 0.85 MAPT (0.52) MAPTPOLBCYP1A2MEN1KMT2A
SCHEMBL1435596 0.82 ALDH1A1 (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL1435643 0.82 ALDH1A1 (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL4098407 0.81 MEN1 (0.68) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL4098410 0.81 MEN1 (0.68) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL1435419 0.80 MAPT (0.48) MAPTPOLBCYP1A2MEN1KMT2A
SCHEMBL1436420 0.78 MAPT (0.56) MAPTPOLBCYP1A2MEN1KMT2A
SCHEMBL4094409 0.74 MEN1 (0.73) MAPTPOLBMEN1KMT2ALMNA

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 3 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 claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP MAPT 31/4885POLB 4234/4885CYP1A2 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.