SCHEMBL3426317

SCHEMBL3426317

CCCCCc1nc(C(=O)Nc2ccccn2)nn1CCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GRM5 P41594 4/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 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
SCHEMBL3282934 0.72 TLR8 (0.36) SMN1; SMN2
Hydrochloric Acid SCHEMBL31277709 0.70 NPC1 (0.50) ALOX12SMN1; SMN2HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL31277933 0.70 SMN1; SMN2 (0.52) ALOX12SMN1; SMN2HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL31278009 0.70 SMN1; SMN2 (0.52) ALOX12SMN1; SMN2HTTMEN1KMT2A
SCHEMBL31277600 0.70 ALDH1A1 (0.53) ALOX12SMN1; SMN2HTTMEN1KMT2A
SCHEMBL22610225 0.68 HDAC3 (0.73) ALOX12SMN1; SMN2HTTNPC1RAB9A
SCHEMBL1023091 0.68 MEN1 (0.58) ALOX12SMN1; SMN2HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL31277731 0.67 SMN1; SMN2 (0.51) ALOX12SMN1; SMN2HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL31277594 0.67 NPC1 (0.51) ALOX12SMN1; SMN2HTTNPC1RAB9A
SCHEMBL23023795 0.67 HDAC3 (0.76) ALOX12SMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP disclosed
US-7319110-B2 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-15 US disclosed
EP-1753413-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB SB 1/SB -ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2007-02-21 EP disclosed
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-09 US disclosed
WO-2005039550-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB1-ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-06-03 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 (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-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity CNR1, CNR2, GPR3 ALOX12 2811/4885SMN1; SMN2 2386/4885HTT 3320/4885
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children PNLIP, DLAT, LPCAT3 ALOX12 679/4885SMN1; SMN2 1727/4885HTT 1303/4885

“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.