SCHEMBL10004576

SCHEMBL10004576

CCc1cc2c(c(C#N)c(C(=O)O)n2C)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ SMO Q99835 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.41
▸ GRIA2 P42262 5/20 0.40
▸ GRIA4 P48058 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL10004229 0.90 LMNA (0.50) LMNASMOHSD17B10GAANPSR1
SCHEMBL3426735 0.87 SMO (0.49) LMNASMONPC1RAB9A
SCHEMBL10004581 0.85 SMO (0.49) LMNASMONPC1RAB9A
SCHEMBL10004552 0.83 SMO (0.47) LMNASMONPC1RAB9A
SCHEMBL1062892 0.83 SMO (0.53) SMOGAANPC1RAB9A
SCHEMBL1056894 0.82 SMO (0.55) SMOGAANPC1RAB9A
SCHEMBL10004683 0.81 SMO (0.76) LMNASMOHSD17B10NPSR1
SCHEMBL1062707 0.81 SMO (0.53) SMOGAANPC1RAB9A
SCHEMBL1061805 0.81 SMO (0.51) SMONPC1RAB9A
SCHEMBL1062658 0.81 SMO (0.68) LMNASMOGAANPC1RAB9A

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
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
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 LMNA 4452/4885SMO 1/4885HSD17B10 1201/4885

“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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