SCHEMBL1335382

SCHEMBL1335382

CC1(C)OB(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)OC1(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.65
RAB9A P51151 15/20 0.65
SMN1; SMN2 Q16637 8/20 0.64
TP53 P04637 6/20 0.64
PKM P14618 3/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
KMT2A Q03164 9/20 0.62
MEN1 O00255 8/20 0.62
MAPT P10636 5/20 0.61
TSHR P16473 4/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
ATM Q13315 1/20 0.61
LMNA P02545 3/20 0.58
CLK1 P49759 1/20 0.57
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL30013277 0.88 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5866982 0.79 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL7567703 0.78 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL3613593 0.78 KMT2A (0.50) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL257797 0.77 CA1 (0.68) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3618549 0.77 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL2610072 0.77 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL13779310 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL15798260 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL2330423 0.74 ROCK1 (0.52) NPC1RAB9AKMT2AMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US 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-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 NPC1 2739/4885RAB9A 2176/4885SMN1; SMN2 3850/4885

“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.