SCHEMBL10004554

SCHEMBL10004554

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ SMO Q99835 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HTR7 P34969 1/20 0.35

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) SMN1; SMN2PPARGSMOPOLBL3MBTL1
SCHEMBL10003908 0.90 SMO (0.47) HKDC1SMN1; SMN2PPARGSMOL3MBTL1
SCHEMBL10004430 0.90 PPARG (0.43) PPARGSMOPPARA
SCHEMBL10003808 0.90 GABRA2 (0.40) HKDC1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL10004667 0.89 MEN1 (0.43) SMN1; SMN2PPARGRXFP1POLBMEN1
SCHEMBL10004363 0.89 NOTUM (0.38) PTGER4PPARGSMOL3MBTL1NOTUM
SCHEMBL10003727 0.88 HKDC1 (0.37) HKDC1SMN1; SMN2SMOL3MBTL1KDM4E
SCHEMBL10003374 0.84 SMO (0.47) PPARGSMOPPARA
SCHEMBL10004618 0.82 SMO (0.51) PPARGSMOMAPTNOTUMPPARA
SCHEMBL10004831 0.82 MAPT (0.50) SMN1; SMN2SMOKDM4EMEN1MAPT

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 HKDC1 2807/4885SMN1; SMN2 3164/4885PTGER4 2241/4885

“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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