SCHEMBL369710

SCHEMBL369710

c1c[nH]c(CNCCNCc2ncc[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.53
TERT O14746 1/20 0.50
ALOX15 P16050 1/20 0.45
FPR2 P25090 1/20 0.45
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
FDPS P14324 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
TBXAS1 P24557 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL5355358 0.98 TAAR1 (0.52) TAAR1TERTALOX15FPR2KLK1
SCHEMBL2474802 0.91 TAAR1 (0.57) TAAR1TERTALOX15FPR2KLK1
SCHEMBL4775864 0.90 TERT (0.59) TAAR1TERTALOX15FPR2KLK1
SCHEMBL4985592 0.88 TAAR1 (0.47) TAAR1TERTALOX15FPR2KLK1
SCHEMBL6225559 0.88 TAAR1 (0.47) TAAR1TERTALOX15FPR2KLK1
SCHEMBL1971764 0.88 TAAR1 (0.47) TAAR1TERTALOX15FPR2KLK1
Ammonia Solution, Strong SCHEMBL28870904 0.86 TAAR1 (0.46) TAAR1TERTALOX15FPR2KLK1
SCHEMBL846495 0.83 TAAR1 (0.44) TAAR1TERTALOX15FPR2KLK1
SCHEMBL10903413 0.83 CXCR4 (0.46) TAAR1TERTALOX15FPR2HTR1A
SCHEMBL1040322 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016033156-A1 IRON-CATALYZED OXIDATIVE POLYMERIZATION OF PHENOLS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-03-03 WO disclosed
US-20140228407-A1 TETRA-PYRIDINE COMPOUNDS AND COMPOSITION FOR PROTECTING CELLS, TISSUES AND ORGANS AGAINST ISCHEMIA-REPERFUSION INJURY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY, LTD. (IL) 2014-08-14 US disclosed
WO-2013003445-A1 TETRA-PYRIDINE COMPOUNDS AND COMPOSITION FOR PROTECTING CELLS, TISSUES AND ORGANS AGAINST ISCHEMIA-REPERFUSION INJURY ATHENA CARDIONET LTD. (IL) 2013-01-03 WO disclosed
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-8048982-B2 Method for producing aromatic compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-01 US disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
US-20090018309-A1 Method for Producing Aromatic Compound Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
EP-1114836-B1 PROCESS FOR PRODUCING A RESIN COMPOSITION NAT INST OF ADVANCED IND SCIEN (JP) 2006-11-08 EP disclosed
US-6344516-B1 TRANSITION METAL COMPLEX CATALYST, OXIDATATIVE POLYMERIZATION OF PHENOL-CONTAINING VEGETABLE OIL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-02-05 US disclosed
EP-1114836-A1 RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME Japan as represented by Secretary of Agency of Industrial Science and Technology (JP) 2001-07-11 EP 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 (3 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-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR TAAR1 2691/4885TERT 21/4885ALOX15 367/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR TAAR1 2764/4885TERT 20/4885ALOX15 391/4885
US-20140228407-A1 TETRA-PYRIDINE COMPOUNDS AND COMPOSITION FOR PROTECTING CELLS, TISSUES AND ORGANS AGAINST ISCHEMIA-REPERFUSION INJURY TNNI3, TXN2, PRDX5 TAAR1 2022/4885TERT 313/4885ALOX15 1120/4885

“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.