SCHEMBL6858733

SCHEMBL6858733

CC(C)(C)c1ccc(NC(=N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX2 P34913 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47

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
SCHEMBL8194563 0.91 KIF11 (0.56) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9667240 0.85 KIF11 (0.53) KIF11NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4464434 0.83 KIF11 (0.51) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4983445 0.83 NPC1 (0.53) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4887986 0.82 TRPV1 (0.60) TRPV1
SCHEMBL1996992 0.82 F2 (0.50) NPC1RAB9AMAPTTYR
SCHEMBL23987229 0.81 MAPT (0.42) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14107831 0.81 KIF11 (0.41) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22010046 0.79 L3MBTL1 (0.39) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6437577 0.79 KIF11 (0.59) KIF11NPC1RAB9AMAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 US disclosed
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10251878-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-04-09 US disclosed
US-9808452-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 US disclosed
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
US-5686495-A Substituted hydrazinedicarboximidamides and methods of use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-11-11 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 (7 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-10251878-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRK1, OPRM1, CYP3A5 KIF11 4576/4885NPC1 2275/4885RAB9A 3167/4885
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 KIF11 4576/4885NPC1 2275/4885RAB9A 3167/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 KIF11 4576/4885NPC1 2275/4885RAB9A 3167/4885
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRK1, OPRM1, CYP3A5 KIF11 4576/4885NPC1 2275/4885RAB9A 3167/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT KIF11 4723/4885NPC1 166/4885RAB9A 2856/4885
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 KIF11 4576/4885NPC1 2275/4885RAB9A 3167/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT KIF11 4723/4885NPC1 166/4885RAB9A 2856/4885

“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.