SCHEMBL14745997

SCHEMBL14745997

O=C1CCCN(C(=O)OCc2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGDR2 Q9Y5Y4 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CTRB1 P17538 1/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM5 P41594 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX4 Q99571 1/20 0.40

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
SCHEMBL17675590 0.86 RAB9A (0.64) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL983021 0.79 RAB9A (0.69) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL5737141 0.79 NPC1 (0.55) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL13506550 0.78 NPC1 (0.54) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL3531672 0.76 MEN1 (0.43) MEN1KMT2A
SCHEMBL3532281 0.76 SLC6A15 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL520065 0.76 NPC1 (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL16193614 0.76 MAPT (0.56) NPC1RAB9AL3MBTL1GAAMEN1
SCHEMBL27616400 0.75 NPC1 (0.84) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL19436827 0.74 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP NPC1 1233/4885RAB9A 1346/4885L3MBTL1 321/4885

“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.