SCHEMBL6991704

SCHEMBL6991704

Cc1cccc2sc(Nc3ccccc3[N+](=O)[O-])c(C#N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP7 P55210 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TSHR P16473 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 4/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL4879805 0.82 MAPK1 (0.46) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL6990160 0.82 MAPT (0.44) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL23682534 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL6992038 0.74 L3MBTL1 (0.43) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL6993884 0.74 EPAS1 (0.43) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL725098 0.72 HTT (0.46) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL29527221 0.72 HTT (0.46) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL4836607 0.71 MAPT (0.44) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL23682528 0.70 MAPK1 (0.46) ALDH1A1MAPK1TDP1CASP7L3MBTL1
SCHEMBL6392737 0.70 MAPK1 (0.59) ALDH1A1MAPK1TDP1CASP7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
US-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 US disclosed
US-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT ALDH1A1 366/4885MAPK1 1616/4885TDP1 201/4885

“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.