SCHEMBL6995059

SCHEMBL6995059

CCOC(=O)c1c(Nc2cc(F)cc(F)c2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
LMNA P02545 6/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6993953 0.86 MAPT (0.41) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6997085 0.85 ALDH1A1 (0.44) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6991878 0.85 KMT2A (0.41) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL7691744 0.84 MAPT (0.41) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6994728 0.84 KMT2A (0.43) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6990179 0.81 MAPT (0.46) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6992000 0.80 KMT2A (0.44) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL7000921 0.80 MAPT (0.47) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6993864 0.79 SMN1; SMN2 (0.43) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6995614 0.79 MAPT (0.42) MAPTGABRPGABRDGABRA1GABRB1

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 MAPT 15/4885GABRP 4196/4885GABRD 4566/4885

“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.