SCHEMBL10316157

SCHEMBL10316157

CCc1c(C(=O)NCCN2CCCC2)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 1/20 0.39
▸ HTR3A P46098 1/20 0.39

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
SCHEMBL10316143 0.88 SMO (0.48) SMOKDM4ELMNAALDH1A1HSD17B10
SCHEMBL10316205 0.86 SMO (0.49) SMOKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11976395 0.86 SMO (0.49) SMOKDM4EALDH1A1TSHR
SCHEMBL10316144 0.86 SMO (0.49) SMOALDH1A1
SCHEMBL10004809 0.85 SMO (0.47) SMOKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL10316145 0.84 SMO (0.47) SMOLMNAALDH1A1
SCHEMBL12826288 0.84 SMO (0.51) SMOALDH1A1
SCHEMBL10316207 0.83 SMO (0.47) SMOKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL10004581 0.82 SMO (0.49) SMOLMNAALDH1A1KMT2AMEN1
SCHEMBL11976393 0.82 SMO (0.60) SMOKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
EP-2471791-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 — — EP disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
EP-2471791-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-20120208794-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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