SCHEMBL1726767

SCHEMBL1726767

COc1cccc(S)c1C(=O)C=CC1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TNFRSF1A P19438 1/20 0.32
KRAS P01116 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.31
MASP2 O00187 1/20 0.31

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
SCHEMBL1938572 0.75 MAPT (0.50) ABCG2MAOAMAOBKDM4ECYP2D6
SCHEMBL1937965 0.74 ABCG2 (0.54) AURKAABCG2MAOAMAOBKDM4E
SCHEMBL4742843 0.73 MAOA (0.47) AURKAABCG2MAOAMAOBKDM4E
SCHEMBL30064673 0.73 ABCG2 (0.54) ABCG2KDM4ECYP1A1CYP1A2CYP2D6
SCHEMBL23849510 0.72 ABCB1 (0.41)
Alcohol SCHEMBL11308930 0.70 AKT1 (0.39) MAOAMAOBSMN1; SMN2CYP1A2TNFRSF1A
SCHEMBL29561663 0.70 MAPT (0.42) MAOBKDM4ESMN1; SMN2CYP1A2TNFRSF1A
SCHEMBL28251467 0.70 MAPT (0.42) MAOBKDM4ESMN1; SMN2CYP1A2TNFRSF1A
SCHEMBL30573 0.70 MAPT (0.42) MAOBKDM4ESMN1; SMN2CYP1A2TNFRSF1A
Acetic Acid SCHEMBL28652948 0.70 RECQL (0.41) MAOBSMN1; SMN2TNFRSF1ATDP1MAPT

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-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

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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 AURKA 4763/4885ABCG2 25/4885CA12 3303/4885

“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.