SCHEMBL4299182

SCHEMBL4299182

CCOC(=S)Sc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 2/20 0.46
VCAM1 P19320 9/20 0.44
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HPGD P15428 2/20 0.40
RAF1 P04049 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL596873 0.79 MCL1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1632856 0.76 MAPT (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1633719 0.75 ALDH1A1 (0.41) MEN1KMT2ATHRBMAPTALDH1A1
SCHEMBL22816343 0.73 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4413302 0.72 VCAM1 (0.58) THRBVCAM1MAPTALDH1A1LMNA
SCHEMBL260606 0.72 KMT2A (0.64) MEN1KMT2ATHRBVCAM1MAPT
SCHEMBL2080483 0.72 VCAM1 (0.51) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL5861079 0.71 VCAM1 (0.55) MEN1KMT2AVCAM1MAPTLMNA
SCHEMBL30387572 0.71 VCAM1 (0.55) MEN1KMT2AVCAM1MAPTLMNA
SCHEMBL18657403 0.71 PDE7A (0.60) VCAM1MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
CN-101331134-B Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL 2012-11-28 CN disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101331134-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2008-12-24 CN disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 MEN1 1621/4885KMT2A 1101/4885THRB 516/4885

“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.