SCHEMBL369263

SCHEMBL369263

CC(c1ncc[nH]1)N(C(C)c1ncc[nH]1)C(C)c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FPR2 P25090 4/20 0.36
NISCH Q9Y2I1 2/20 0.36
F2RL1 P55085 4/20 0.36
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL4092525 0.84 ADRA2A (0.40) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL189942 0.78
SCHEMBL29046781 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL12233238 0.78 F2RL1 (0.38) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL6039544 0.77 ADRA2A (0.38) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL6039548 0.77 ADRA2A (0.40) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4259010 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
Bromide SCHEMBL5133738 0.76
Hydrochloric Acid SCHEMBL10681958 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27564991 0.76

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 7 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-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

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-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR ADRA2A 79/4885ADRA2B 253/4885ADRA2C 517/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR ADRA2A 85/4885ADRA2B 261/4885ADRA2C 511/4885

“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.