SCHEMBL598010

SCHEMBL598010

CC(C)(C)c1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.66
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
XBP1 P17861 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
EPHX2 P34913 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
TRPV1 Q8NER1 4/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54

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
SCHEMBL15532876 0.91 CNR1 (0.63) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL6789878 0.86 MEN1 (0.51) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL23456343 0.85 MEN1 (0.74) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL136432 0.84 MEN1 (0.72) CNR1MEN1KMT2AMAPTHTT
SCHEMBL30831949 0.84 CNR1 (0.67) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14873812 0.83 KMT2A (0.61) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL9938209 0.83 CNR1 (0.60) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL9280415 0.83 CNR1 (0.60) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL9936949 0.83 CNR1 (0.60) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL4638830 0.82 CNR1 (0.47) CNR1RAB9AMEN1KMT2ANPC1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114152-B2 Stent coating ICON INTERVENTIONAL SYSTEMS, INC. (US) 2012-02-14 US claimed
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES UNIVERSITé LAVAL (CA) 2021-06-03 US disclosed
US-20130102657-A1 ANTI-ANGIOGENIC COMPOSITIONS AND METHODS OF USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-04-25 US disclosed
US-8221794-B2 Anti-angiogenic nanoparticle compositions ANGIOTECH PHARMACEUTICALS, INC. (CA) 2012-07-17 US disclosed
US-8114152-B2 Stent coating ICON INTERVENTIONAL SYSTEMS, INC. (US) 2012-02-14 US disclosed
US-20110118825-A1 ANTI-ANGIOGENIC COMPOSITIONS AND METHODS OF USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2011-05-19 US disclosed
US-20110071612-A1 ANTI-ANGIOGENIC COMPOSITIONS AND METHODS OF USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2011-03-24 US disclosed
US-20110066251-A1 ANTI-ANGIOGENIC COMPOSITIONS AND METHODS OF USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2011-03-17 US disclosed
US-20100292314-A1 ANTI-ANGIOGENIC COMPOSITIONS AND METHODS OF USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2010-11-18 US disclosed
US-7820193-B2 Anticancer agents; prevent forming blood vessels; removal blockage ANGIOTECH PHARMACEUTICALS, INC. (CA) 2010-10-26 US disclosed
US-5716981-A A STENT COATED WITH PACLITAXEL, A TAXAN DERIVATIVE AND A POLYMERIC CARRIER; MEDICAL EQUIPMENT FOR DEBLOCKING ANGIOGENESIS TECHNOLOGIES, INC. (CA) 1998-02-10 US disclosed
EP-0766675-A4 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY IND INC (US) 1997-09-24 EP disclosed
EP-0766675-A1 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1997-04-09 EP disclosed
WO-1996000216-A1 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1996-01-04 WO disclosed
US-5003069-A Chichibabin reaction REILLY INDUSTRIES, INC. (US) 1991-03-26 US disclosed
EP-0091790-B1 PROCESS FOR PREPARING 2-ALKYLAMINO- AND 2-AMINO-5-ALKYLPYRIDINES REILLY INDUSTRIES, INC. (US) 1989-11-15 EP disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP disclosed
EP-0091790-A2 Process for preparing 2-alkylamino- and 2-amino-5-alkylpyridines REILLY INDUSTRIES, INC. (US) 1983-10-19 EP disclosed
US-4405790-A FROM 3-ALKYLPYRIDINE; SODIUM ALKYLAMIDE REILLY TAR & CHEMICAL CORP. (US) 1983-09-20 US disclosed
US-4386209-A Chichibabin reaction REILLY TAR & CHEMICAL CORPORATION (US) 1983-05-31 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-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES NOS3, NOS2, CBS CNR1 1227/4885RAB9A 2066/4885MEN1 4239/4885

“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.