SCHEMBL2218656

SCHEMBL2218656

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.61
NPC1 O15118 13/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.53
STAT1 P42224 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 5/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2230232 0.90 LMNA (0.59) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL12515768 0.88 RAB9A (0.68) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL12519380 0.87 RAB9A (0.45) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14551107 0.86 RAB9A (0.62) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14553223 0.86 RAB9A (0.53) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14551126 0.83 NPC1 (0.72) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14551103 0.83 NPC1 (0.76) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL12515760 0.82 NPC1 (0.71) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL12515753 0.81 NPC1 (0.69) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14551108 0.81 NPC1 (0.69) RAB9ANPC1MEN1KMT2AL3MBTL1

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 6 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
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 EP 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 RAB9A 109/4885NPC1 349/4885MEN1 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.