SCHEMBL10004543

SCHEMBL10004543

CCOC(=O)c1c(O)c2c(=O)n(-c3ccccc3)c(CC)cc2n1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ RECQL P46063 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.45
▸ MAT2A P31153 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL10003782 0.89 MAPT (0.43) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL10004416 0.89 MAPT (0.44) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL10003684 0.89 MAPT (0.44) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL10004831 0.88 MAPT (0.50) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL10004663 0.86 MAPT (0.41) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL10004187 0.85 MAPT (0.47) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL1056839 0.85 KMT2A (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL10003685 0.84 ALDH1A1 (0.40) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL1059767 0.83 MAPT (0.49) ALDH1A1MAPTGAARECQLKDM4E
SCHEMBL10004932 0.83 SMO (0.50) ALDH1A1MAPTGAARECQLKDM4E

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-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885MAPT 4783/4885GAA 3144/4885

“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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