SCHEMBL10004667

SCHEMBL10004667

CCOc1c(C(=O)O)n(C)c2cc(CC)n(-c3ccc(OC)cc3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PPARG P37231 3/20 0.40
▸ TP53 P04637 4/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD5 P21918 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
SCHEMBL10004814 0.91 PPARG (0.40) MEN1KMT2APPARGSMN1; SMN2ALDH1A1
SCHEMBL10004241 0.90 NPBWR1 (0.43) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL10004554 0.89 HKDC1 (0.39) MEN1KMT2APPARGRXFP1SMN1; SMN2
SCHEMBL10003999 0.89 SMO (0.46) MEN1KMT2APPARGTP53GRIA2
SCHEMBL10004029 0.88 DRD1 (0.38) MEN1KMT2APPARGTP53MAPT
SCHEMBL10004430 0.88 PPARG (0.43) PPARGPPARA
SCHEMBL10004363 0.82 NOTUM (0.38) PPARGALDH1A1GRIA2GRIA4
SCHEMBL10004831 0.82 MAPT (0.50) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL10003374 0.82 SMO (0.47) PPARGPPARA
SCHEMBL10004847 0.81 SMO (0.45) MEN1KMT2APPARGTP53SMN1; SMN2

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 MEN1 335/4885KMT2A 423/4885PPARG 1436/4885

“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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