SCHEMBL6992038

SCHEMBL6992038

N#Cc1c(Nc2ccccc2[N+](=O)[O-])sc2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
EPAS1 Q99814 1/20 0.43
VCAM1 P19320 1/20 0.41
MAPT P10636 7/20 0.40
MAPK1 P28482 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CASP7 P55210 1/20 0.40
PHGDH O43175 1/20 0.39
IDO1 P14902 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
MAP2K1 Q02750 2/20 0.37
LMNA P02545 1/20 0.36
CACNA1B Q00975 1/20 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
SCHEMBL6993884 0.87 EPAS1 (0.43) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL4879805 0.86 MAPK1 (0.46) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL7000491 0.77 ATM (0.38) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL4845280 0.76 KCNMA1 (0.41) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL4840460 0.76 TDP1 (0.37) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL4837176 0.74 HTT (0.38) L3MBTL1EPAS1MAPTMAPK1TDP1
SCHEMBL6991704 0.74 ALDH1A1 (0.41) L3MBTL1MAPTMAPK1TDP1ALDH1A1
SCHEMBL6990160 0.74 MAPT (0.44) L3MBTL1MAPTMAPK1TDP1ALDH1A1
SCHEMBL4839033 0.73 MAPK1 (0.47) L3MBTL1EPAS1MAPTMAPK1ALDH1A1
SCHEMBL6995064 0.73 KAT2B (0.36) MAPTMAPK1TDP1ALDH1A1MEN1

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 L3MBTL1 2413/4885EPAS1 3357/4885VCAM1 1633/4885

“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.