SCHEMBL6995064

SCHEMBL6995064

Cc1ccc([N+](=O)[O-])c(Nc2sc3cc(F)ccc3c2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
MAPT P10636 5/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.34
GRK6 P43250 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 3/20 0.32
ALDH3A1 P30838 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL7000491 0.92 ATM (0.38) MAPTTDP1ATMKMT2AMEN1
SCHEMBL6993884 0.86 EPAS1 (0.43) MAPTTDP1ATMKMT2AMEN1
SCHEMBL6994349 0.85 AKR1C3 (0.40) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL4840460 0.84 TDP1 (0.37) MAPTTDP1ATMKMT2AMEN1
SCHEMBL4845280 0.78 KCNMA1 (0.41) MAPTTDP1ATMALDH1A1ALDH3A1
SCHEMBL4845706 0.75 TDP1 (0.38) MAPTTDP1ATMKMT2AMEN1
SCHEMBL4837176 0.74 HTT (0.38) KAT2BMAPTTDP1KMT2AMEN1
SCHEMBL4837038 0.73 ATM (0.39) MAPTTDP1ATMKMT2AMEN1
SCHEMBL7000448 0.73 MAPT (0.43) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL6992038 0.73 L3MBTL1 (0.43) MAPTTDP1KMT2AMEN1ALDH1A1

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 KAT2B 492/4885MAPT 15/4885CYP3A4 967/4885

“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.