SCHEMBL10004013

SCHEMBL10004013

CCc1cc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 2/20 0.37
▸ SMO Q99835 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ BCL2 P10415 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL10003727 0.90 HKDC1 (0.37) SMOKDM4EALDH1A1
SCHEMBL10004029 0.90 DRD1 (0.38) BRPF1KDM4EDRD1DRD5MAPT
SCHEMBL10004368 0.90 NOTUM (0.38) SMOALDH1A1PPARG
SCHEMBL10004187 0.89 MAPT (0.47) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL10004814 0.89 PPARG (0.40) SMOKDM4ENTRK1NTRK3NTRK2
SCHEMBL10004461 0.88 PPARG (0.39) SMOPPARG
SCHEMBL1061805 0.84 SMO (0.51) BRPF1SMOKMT2A
SCHEMBL10004618 0.84 SMO (0.51) SMOALDH1A1GAAMAPTPPARG
SCHEMBL10299362 0.82 SRC (0.41) BRPF1SMOKDM4ETOP2AALDH1A1
SCHEMBL10299357 0.81 HKDC1 (0.36) BRPF1KDM4EALDH1A1GAAKMT2A

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 BRPF1 1937/4885SMO 1/4885KDM4E 405/4885

“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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