SCHEMBL348055

SCHEMBL348055

O=[N+]([O-])c1cc2ccc3ccccc3c2c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.67
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 2/20 0.59
ALDH1A1 P00352 3/20 0.56
CASP6 P55212 1/20 0.53
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSB P07858 2/20 0.47
CYP3A4 P08684 1/20 0.47
CDK2 P24941 1/20 0.47
HNF4A P41235 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL17063444 0.83 ALDH1A1 (0.54) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL8622947 0.81 HPRT1 (0.76) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL30878647 0.80 HPRT1 (1.00) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL710252 0.80 HPRT1 (1.00) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL3817515 0.80 TDP1 (0.56) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL29450700 0.80 HPRT1 (1.00) HPRT1TDP1TSHRALDH1A1CASP6
Charcoal, Activated SCHEMBL5052441 0.79 HPRT1 (0.96) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL4535842 0.78 ALDH1A1 (0.71) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL28796978 0.77 HPRT1 (0.56) HPRT1TDP1TSHRALDH1A1CASP6
SCHEMBL22211955 0.77 ALDH1A1 (0.59) HPRT1TDP1TSHRALDH1A1CASP6

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
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 HPRT1 1810/4885TDP1 1286/4885TSHR 3657/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR HPRT1 1857/4885TDP1 1336/4885TSHR 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.