SCHEMBL10004584

SCHEMBL10004584

COc1ccc(Cn2c(C)nc3c(c(OCC(F)(F)F)c(C(=O)O)n3C)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PDE1A P54750 3/20 0.46
▸ PDE1B Q01064 3/20 0.46
▸ PDE1C Q14123 3/20 0.46
▸ POLB P06746 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43

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
SCHEMBL10004766 0.92 NPSR1 (0.42) BLMSMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL10004150 0.91 NPSR1 (0.44) BLMSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10004100 0.91 ALDH1A1 (0.44) BLMSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10004629 0.90 PDE1A (0.46) BLMSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10004728 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNARECQLMEN1
SCHEMBL10004555 0.85 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10003653 0.84 KMT2A (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10004560 0.84 TDP1 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL10004065 0.83 KMT2A (0.43) SMN1; SMN2ALDH1A1LMNARECQLMEN1
SCHEMBL10004914 0.83 MAPT (0.45) SMN1; SMN2ALDH1A1LMNAMAPTMEN1

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 BLM 2523/4885SMN1; SMN2 3164/4885ALDH1A1 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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