SCHEMBL7002745

SCHEMBL7002745

CCOC(=O)c1c(Nc2cc(F)c(F)cc2N)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
CDC25B P30305 4/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42

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
SCHEMBL7000437 0.88 SMN1; SMN2 (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6993864 0.88 SMN1; SMN2 (0.43) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6997161 0.87 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6997085 0.86 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6996750 0.86 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6998866 0.86 CISD2 (0.45) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6994066 0.85 SMN1; SMN2 (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6997271 0.84 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6996720 0.84 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6999000 0.84 IDO1 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 15/4885SMN1; SMN2 1349/4885NPC1 465/4885

“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.