SCHEMBL370577

SCHEMBL370577

c1c[nH]c(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.53
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.48
TERT O14746 1/20 0.44
FDPS P14324 1/20 0.41
TBXAS1 P24557 2/20 0.40
HTR1A P08908 1/20 0.40
CXCR4 P61073 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
SCHEMBL15948859 0.93 TAAR1 (0.52) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL11936762 0.87 TAAR1 (0.57) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL27938415 0.87 TAAR1 (0.57) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL8820632 0.87 TAAR1 (0.47) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL1974427 0.85 TAAR1 (0.46) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL1331599 0.83 TAAR1 (0.54) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL825460 0.82 TAAR1 (0.51) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL16243873 0.82 TAAR1 (0.44) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL8151868 0.82 TAAR1 (0.44) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3106216 0.82 CYP2D6 (0.49) TAAR1CYP2D6TSHRLMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996040170-A2 METAL-CONTAINING COMPOUNDS AND THEIR USE FOR INHIBITING THE IMMUNE RESPONSE PROCEPT, INC. (US) 1996-12-19 WO claimed
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
US-7291692-B2 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
US-7161000-B2 Method for producing phenol condensate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-09 US disclosed
US-20050096452-A1 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
US-20040267057-A1 Method for producing phenol condensate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-30 US 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
WO-1996040170-A2 METAL-CONTAINING COMPOUNDS AND THEIR USE FOR INHIBITING THE IMMUNE RESPONSE PROCEPT, INC. (US) 1996-12-19 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 (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 2691/4885CYP2D6 870/4885TSHR 3657/4885
US-20040267057-A1 Method for producing phenol condensate SOD1, MLX, XDH TAAR1 4316/4885CYP2D6 2513/4885TSHR 3660/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR TAAR1 2764/4885CYP2D6 813/4885TSHR 3727/4885

“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.