SCHEMBL94769

SCHEMBL94769

O=[N+]([O-])c1cccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 4/20 0.44
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 1/20 0.39
S100A4 P26447 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
Ammonia Solution, Strong SCHEMBL5982581 0.87 TSHR (0.46) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL14845129 0.87 GPR35 (0.49) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL3933610 0.85 GPR35 (0.58) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL249846 0.85 ALDH1A1 (0.68) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL94768 0.84 TSHR (0.52) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL9641198 0.82 TSHR (0.55) GPR35ALDH1A1TSHRTDP1HPGD
Nitric Acid SCHEMBL9873962 0.81 ALDH1A1 (0.63) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL1436652 0.81 TSHR (0.41) GPR35ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL6108468 0.81 ALDH1A1 (0.60) ALDH1A1TSHRTDP1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL8413128 0.81 ALDH1A1 (0.49) GPR35ALDH1A1TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1325016-A2 NUCLEOSIDE DERIVATIVES AND A METHOD FOR PRODUCING THE SAME Epigenomics AG (DE) 2003-07-09 EP disclosed
WO-2001012642-A2 NUCLEOSIDE DERIVATIVES AND A METHOD FOR PRODUCING SAME EPIGENOMICS AG (DE) 2001-02-22 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB GPR35 4113/4885ALDH1A1 2948/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GPR35 522/4885ALDH1A1 2458/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 GPR35 522/4885ALDH1A1 2458/4885TSHR 110/4885

“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.