SCHEMBL1062886

SCHEMBL1062886

CCOC(=O)c1sc2c(C)c(C)nc(Cl)c2c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 6/20 0.39
▸ LMNA P02545 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1060667 0.88 ALDH1A1 (0.39) HSD17B10ALDH1A1KDM4EHPGDRXFP1
SCHEMBL1062306 0.84 ALDH1A1 (0.43) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL1061205 0.79 HPGD (0.35) ALDH1A1KDM4EHPGD
SCHEMBL10004531 0.78 KMT2A (0.48) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL12962743 0.76 — —
SCHEMBL1061759 0.76 ALDH1A1 (0.45) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL26288487 0.67 ALDH1A1 (0.47) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL469124 0.67 HSD17B10 (0.49) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL10004185 0.67 MAPT (0.58) HSD17B10GAAKMT2AALDH1A1KDM4E
SCHEMBL187316 0.67 ALDH1A1 (0.59) HSD17B10GAAKMT2AALDH1A1KDM4E

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-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 HSD17B10 256/4885GAA 4154/4885KMT2A 453/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 HSD17B10 222/4885GAA 4308/4885KMT2A 386/4885

“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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