SCHEMBL1728115

SCHEMBL1728115

COc1cccc2c1C(=O)CS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.43
POLL Q9UGP5 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 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
SCHEMBL23861125 0.83 ALDH1A1 (0.53) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL29515304 0.83 ALDH1A1 (0.53) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL3618237 0.75 KMT2A (0.35) TOP1POLLALDH1A1KDM4EMEN1
SCHEMBL15143531 0.73 MAPT (0.50) TOP1ALDH1A1KDM4EGAAMEN1
SCHEMBL9786984 0.72 ACHE (0.41) TOP1ALDH1A1KDM4EHPGDGLA
SCHEMBL6090830 0.72 CA1 (0.35) CA1CA2CA7CA9PIM1
SCHEMBL11638208 0.69 ALDH1A1 (0.36) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL9710296 0.69 MAOA (0.40) ACHEL3MBTL1
SCHEMBL832914 0.68 ELANE (0.39) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL28148154 0.68 CA1 (0.65) TOP1ALDH1A1KDM4EHPGDMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 EP disclosed
US-20020086895-A1 Methods of treating fungal infections CHU WAI-LAM ALEX (US) 2002-07-04 US disclosed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 EP disclosed
US-6307070-B1 FUNGICIDES PHYTERA, INC. 2001-10-23 US disclosed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP disclosed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO 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 (2 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-20020086895-A1 Methods of treating fungal infections COXFA4L2, DPM1, ERG28 TOP1 749/4885POLL 3306/4885ALDH1A1 1149/4885
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 TOP1 4417/4885POLL 4847/4885ALDH1A1 399/4885

“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.