SCHEMBL12515149

SCHEMBL12515149

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.58
▸ RAB9A P51151 9/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.52
▸ STAT1 P42224 2/20 0.52
▸ MAPT P10636 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ PLAU P00749 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL12515134 0.90 NPC1 (0.56) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515133 0.89 MEN1 (0.54) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515841 0.89 TYK2 (0.56) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515843 0.88 RAB9A (0.51) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL14551103 0.87 NPC1 (0.76) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515839 0.86 RAB9A (0.73) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515132 0.85 HPSE (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515851 0.84 RAB9A (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515352 0.84 RAB9A (0.58) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12515313 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 5 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-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
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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