SCHEMBL4098407

SCHEMBL4098407

O=[N+]([O-])c1cccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
GAA P10253 4/20 0.68
MAPT P10636 4/20 0.68
KMT2A Q03164 4/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
MAOA P21397 11/20 0.62
MAOB P27338 11/20 0.62
ALDH1A1 P00352 2/20 0.62
CSNK2A1 P68400 1/20 0.62
RAB9A P51151 1/20 0.61
GUSB P08236 1/20 0.60
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL4098410 1.00 MEN1 (0.68) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL4094410 0.90 MEN1 (0.73) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL4094409 0.90 MEN1 (0.73) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL4093805 0.83 GAA (0.86) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL4093808 0.83 GAA (0.86) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL1435442 0.81 MAPT (0.56) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL1435501 0.81 MAPT (0.56) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL1435444 0.79 MAPT (0.52) MEN1GAAMAPTKMT2AMAPK1
SCHEMBL1435490 0.77 GAA (1.00) MEN1GAAMAPTKMT2AMAOA
SCHEMBL4083570 0.77 GAA (0.79) MEN1GAAMAPTKMT2AMAPK1

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 2 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
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 MEN1 1055/4885GAA 157/4885MAPT 31/4885

“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.