SCHEMBL10004531

SCHEMBL10004531

CCOC(=O)c1sc2nc(C)nc(Cl)c2c1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 9/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 7/20 0.45
▸ GAA P10253 4/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL10004825 0.84 KDM4E (0.50) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL1062886 0.78 HSD17B10 (0.43) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL1061759 0.77 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10004185 0.75 MAPT (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21048249 0.71 SMN1; SMN2 (0.51) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21048236 0.71 ALDH1A1 (0.64) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL20504202 0.71 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4531480 0.69 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2134499 0.68 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10004608 0.68 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KMT2A 423/4885KDM4E 405/4885ALDH1A1 321/4885

“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.

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