SCHEMBL370673

SCHEMBL370673

c1ccc2[nH]c(CNCCNCc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
POLB P06746 2/20 0.59
DDAH1 O94760 1/20 0.59
GAA P10253 2/20 0.56
SLC40A1 Q9NP59 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
BCHE P06276 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KLK1 P06870 1/20 0.51

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
SCHEMBL711507 0.92 PKM (0.71) PKMPOLBDDAH1GAARAB9A
SCHEMBL31734838 0.92 PKM (0.71) PKMPOLBDDAH1GAARAB9A
SCHEMBL8508403 0.91 PKM (0.56) PKMPOLBDDAH1GAASLC40A1
SCHEMBL825211 0.90 PKM (0.59) PKMPOLBDDAH1GAASLC40A1
Hydrochloric Acid SCHEMBL710492 0.89 PKM (0.67) PKMPOLBDDAH1GAARAB9A
Hydrochloric Acid SCHEMBL710491 0.89 PKM (0.72) PKMPOLBDDAH1GAARAB9A
SCHEMBL6328764 0.87 PKM (0.60) PKMPOLBDDAH1SLC40A1RAB9A
SCHEMBL11360890 0.87 PKM (0.56) PKMPOLBDDAH1GAASLC40A1
SCHEMBL6946580 0.87 RAB9A (0.67) PKMPOLBDDAH1GAASLC40A1
SCHEMBL8508703 0.87 CHRM1 (0.61) PKMPOLBGAASLC40A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 PKM 189/4885POLB 424/4885DDAH1 1994/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR PKM 190/4885POLB 407/4885DDAH1 2065/4885

“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.