SCHEMBL6997085

SCHEMBL6997085

CCOC(=O)c1c(Nc2cc(F)cc(F)c2N)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 2/20 0.44
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPK1 P28482 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL7691744 0.89 MAPT (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL6993864 0.88 SMN1; SMN2 (0.43) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL7002745 0.86 MAPT (0.44) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL7000437 0.85 SMN1; SMN2 (0.43) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL6995059 0.85 MAPT (0.38) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6994066 0.82 SMN1; SMN2 (0.54) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL6998866 0.81 CISD2 (0.45) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL6996750 0.81 SMN1; SMN2 (0.45) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL6993953 0.80 MAPT (0.41) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL6997161 0.80 MAPT (0.44) ALDH1A1HPGDGAAKDM4EHSD17B10

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 ALDH1A1 366/4885HPGD 3449/4885GAA 75/4885

“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.