SCHEMBL5893133

SCHEMBL5893133

Cc1cc(/C=C(\NC(=O)OCc2ccccc2)C(=O)O)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MIF P14174 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MMP12 P39900 1/20 0.38
LMNA P02545 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MCL1 Q07820 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5893137 1.00 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5893720 1.00 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5893113 0.91 MEN1 (0.43) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3343669 0.83 LMNA (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3343672 0.83 LMNA (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3343675 0.83 LMNA (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3343992 0.81 CA12 (0.50) NPC1RAB9AKMT2APOLBMIF
SCHEMBL3343985 0.81 CA12 (0.50) NPC1RAB9AKMT2APOLBMIF
SCHEMBL3343995 0.81 CA12 (0.50) NPC1RAB9AKMT2APOLBMIF
SCHEMBL3342066 0.80 OPRK1 (0.43) MEN1KMT2AMIFCA12CA1

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
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A NPC1 3745/4885RAB9A 2842/4885MEN1 3751/4885

“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.