SCHEMBL10316143

SCHEMBL10316143

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.48
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL10316157 0.88 SMO (0.50) SMOLMNATSHRKDM4EALDH1A1
SCHEMBL10316205 0.83 SMO (0.49) SMOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11976395 0.83 SMO (0.49) SMOTSHRKDM4EALDH1A1
SCHEMBL10004809 0.82 SMO (0.47) SMOTSHRKDM4EALDH1A1HPGD
SCHEMBL10316144 0.81 SMO (0.49) SMOALDH1A1
SCHEMBL12826288 0.81 SMO (0.51) SMOALDH1A1
SCHEMBL10316145 0.81 SMO (0.47) SMOLMNAALDH1A1
SCHEMBL10316207 0.80 SMO (0.47) SMOTSHRKDM4EALDH1A1HPGD
SCHEMBL10004581 0.80 SMO (0.49) SMOLMNAALDH1A1KMT2A
SCHEMBL11976393 0.79 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 3 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-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 1/4885LMNA 4452/4885TSHR 2374/4885

“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.

Send feedback