SCHEMBL465776

SCHEMBL465776

O=C(O)Nc1ccc(CCl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
DEGS1 O15121 2/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
PTK2 Q05397 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL9455571 0.84 PTK2 (0.62) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL466003 0.84 RAB9A (0.46) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL11466907 0.84 DEGS1 (0.56) RAB9AMEN1KMT2AMAPTDEGS1
SCHEMBL17675503 0.82 RAB9A (0.44) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL3720037 0.82 RAB9A (0.44) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL3202851 0.82 RAB9A (0.44) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL16246036 0.81 RAB9A (0.43) RAB9AL3MBTL1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8722614 0.81 MEN1 (0.43) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL3925763 0.80 KDR (0.47) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL28322047 0.79 RAB9A (0.50) RAB9AMEN1KMT2AMAPTDEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
CN-102227420-B Quinazolinone, quinolone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-06-24 CN disclosed
CN-104394869-A Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-04 CN disclosed
CN-102227420-A Quinazolinone, quinolone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-10-26 CN disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
EP-2272826-A1 2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-01-12 EP disclosed
WO-2010149888-A1 DERIVATIVES OF 2-MERCAPTOCYCLOPENTANE CARBOXYLIC ACID, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2010-12-29 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 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 (2 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-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN RAB9A 505/4885L3MBTL1 707/4885MEN1 83/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 RAB9A 1337/4885L3MBTL1 3823/4885MEN1 455/4885

“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.