SCHEMBL10004218

SCHEMBL10004218

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)oc(C)cc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL10004484 0.79 MAPT (0.44) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL1062298 0.79 SMO (0.37) SMOKDM4ELMNAMAPTGAA
SCHEMBL10003465 0.78 MAPT (0.39) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL10004269 0.76 SMO (0.40) SMOKDM4ELMNAMAPTGAA
SCHEMBL10004932 0.76 SMO (0.50) SMOKDM4EMAPTGAAALDH1A1
SCHEMBL10004261 0.74 SMO (0.45) SMOKDM4EMAPTGAAALDH1A1
SCHEMBL1061866 0.74 SMO (0.54) SMOLMNAMAPTGAAALDH1A1
SCHEMBL10003740 0.74 SMO (0.45) SMOKDM4EMAPTGAAALDH1A1
SCHEMBL10004267 0.74 KDM4E (0.38) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10004152 0.74 SMO (0.47) SMOKDM4ELMNAMAPTALDH1A1

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 SMO 1/4885KDM4E 405/4885LMNA 4452/4885

“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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