SCHEMBL12515313

SCHEMBL12515313

COc1ccc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.52
▸ STAT1 P42224 2/20 0.52
▸ MAPT P10636 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ USP8 P40818 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PLAU P00749 2/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RUVBL1 Q9Y265 1/20 0.46

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
SCHEMBL12515337 0.91 NPC1 (0.54) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515334 0.91 MEN1 (0.54) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515898 0.90 TYK2 (0.55) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515380 0.89 RAB9A (0.53) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL14551103 0.87 NPC1 (0.76) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515897 0.87 RAB9A (0.76) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515146 0.85 HPSE (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515905 0.85 RAB9A (0.48) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515352 0.84 RAB9A (0.58) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515149 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2AL3MBTL1

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-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 — — US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 — — US disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 — — WO 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 NPC1 349/4885RAB9A 109/4885MEN1 1286/4885

“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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