SCHEMBL6993953

SCHEMBL6993953

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
ALPL P05186 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 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
SCHEMBL6994728 0.92 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7000921 0.90 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7000448 0.90 MAPT (0.43) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6991878 0.89 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6987733 0.89 L3MBTL1 (0.46) MAPTALDH1A1HPGDMAPK1HTT
SCHEMBL6995589 0.89 MAPT (0.40) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6990179 0.88 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6990165 0.88 MAPT (0.38) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6996023 0.87 SMN1; SMN2 (0.43) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6995059 0.86 MAPT (0.38) MAPTALDH1A1SMN1; SMN2HPGDNPC1

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 15/4885ALDH1A1 366/4885SMN1; SMN2 1349/4885

“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.