SCHEMBL6987733

SCHEMBL6987733

CCOC(=O)c1c(Nc2cc(Cl)ccc2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 10/20 0.45
LMNA P02545 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CMA1 P23946 1/20 0.40
ALOX12 P18054 1/20 0.39
F2 P00734 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6999539 0.92 MAPT (0.47) L3MBTL1MAPTLMNANPSR1TDP1
SCHEMBL7000921 0.90 MAPT (0.47) L3MBTL1MAPTLMNANPSR1TDP1
SCHEMBL6995614 0.89 MAPT (0.42) MAPTLMNANPSR1TDP1ALDH1A1
SCHEMBL6993953 0.89 MAPT (0.41) MAPTLMNANPSR1TDP1HTT
SCHEMBL6995589 0.89 MAPT (0.40) L3MBTL1MAPTLMNANPSR1TDP1
SCHEMBL6990179 0.88 MAPT (0.46) L3MBTL1MAPTLMNATDP1ALDH1A1
SCHEMBL6991878 0.85 KMT2A (0.41) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL6992000 0.84 KMT2A (0.44) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL6996720 0.84 MAPT (0.44) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL6995841 0.83 MAPT (0.41) MAPTLMNANPSR1TDP1ALDH1A1

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 2413/4885MAPT 15/4885LMNA 4763/4885

“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.