SCHEMBL10004552

SCHEMBL10004552

C=Cc1c(C(=O)O)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.47
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PARG Q86W56 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL10004753 0.91 KMT2A (0.47) SMONPC1RAB9ALMNAPARG
SCHEMBL3426735 0.87 SMO (0.49) SMONPC1RAB9ALMNAGPR35
SCHEMBL10004581 0.87 SMO (0.49) SMONPC1RAB9ALMNAGPR35
SCHEMBL1062892 0.85 SMO (0.53) SMONPC1RAB9AMEN1KMT2A
SCHEMBL1056894 0.84 SMO (0.55) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10004576 0.83 LMNA (0.51) SMONPC1RAB9ALMNA
SCHEMBL1062707 0.82 SMO (0.53) SMONPC1RAB9AMEN1KMT2A
SCHEMBL1061805 0.82 SMO (0.51) SMONPC1RAB9AMEN1KMT2A
SCHEMBL1062399 0.81 SMO (0.54) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10004445 0.81 SMO (0.73) SMOMEN1KMT2A

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 SMO 1/4885NPC1 1300/4885RAB9A 1389/4885

“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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