SCHEMBL789101

SCHEMBL789101

Cc1cc(Br)ccc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
AAK1 Q2M2I8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
LCK P06239 2/20 0.42
GPR27 Q9NS67 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27007635 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2FLT1FLT4
SCHEMBL788910 0.84 ALDH1A1 (0.54) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL789057 0.84 USP30 (0.54) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL29422481 0.84 USP30 (0.54) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL3137559 0.82 LMNA (0.48) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL1693101 0.82 AAK1 (0.45) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL17680509 0.82 POLB (0.53) NPC1RAB9ASMN1; SMN2RECQLMAPT
SCHEMBL27007664 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2FLT1FLT4
SCHEMBL277358 0.79 AAK1 (0.43) NPC1RAB9AAAK1SMN1; SMN2RECQL
SCHEMBL4865164 0.77 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 NPC1 1120/4885RAB9A 4098/4885AAK1 935/4885

“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.