SCHEMBL13623138

SCHEMBL13623138

CC(C)(C)OC(=O)Nc1cc(Br)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
LCK P06239 2/20 0.39
CYP17A1 P05093 3/20 0.39
MAPK14 Q16539 3/20 0.36
PSMB8 P28062 1/20 0.35
NAMPT P43490 1/20 0.35
MAP4K4 O95819 1/20 0.35
MIF P14174 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL3119352 0.89 CA12 (0.45) NPC1RECQLRAB9ASMN1; SMN2HDAC3
SCHEMBL13623136 0.87 NPC1 (0.42) NPC1RECQLRAB9ASMN1; SMN2HDAC3
SCHEMBL19826504 0.86 LCK (0.45) NPC1RECQLRAB9ASMN1; SMN2HDAC3
SCHEMBL19274733 0.86 LCK (0.45) NPC1RECQLRAB9ASMN1; SMN2HDAC3
SCHEMBL6301414 0.84 CA12 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29950942 0.82 CA12 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12527219 0.82 CA12 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29953301 0.82 CA12 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7464838 0.81 KMT2A (0.42) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL13833174 0.80 LCK (0.44) NPC1RECQLRAB9ASMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NPC1 2849/4885RECQL 3387/4885RAB9A 1998/4885

“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.