SCHEMBL7082579

SCHEMBL7082579

CNc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
EGFR P00533 2/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL8065690 0.85 GPR35 (0.56) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL8374513 0.85 MAPK1 (0.60) ALDH1A1MAPK1HPGDTP53TSHR
Hydrochloric Acid SCHEMBL28214254 0.84 GPR35 (0.55) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL6881421 0.83 HPGD (0.58) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL27039902 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDTSHRSMN1; SMN2
SCHEMBL18268223 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL3801985 0.81 HTT (0.68) ALDH1A1MAPK1HPGDTP53TSHR
Hydrochloric Acid SCHEMBL29009198 0.80 MAPK1 (0.58) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL3378072 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1HPGDTP53TSHR
SCHEMBL5499416 0.80 CA12 (0.54) ALDH1A1MAPK1HPGDTP53TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
EP-1324681-A2 ARTICLE FOR THE DELIVERY OF FOAM PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-07-09 EP disclosed
US-6547063-B1 Article for the delivery of foam products THE PROCTER & GAMBLE COMPANY 2003-04-15 US disclosed
EP-0706551-B1 POLYALKYL HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEM CO (US) 2000-06-07 EP disclosed
EP-0706554-A4 POLY(OXYALKYLENE) HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEM CO (US) 1996-09-18 EP disclosed
EP-0706551-A4 POLYALKYL HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEM CO (US) 1996-09-18 EP disclosed
EP-0706551-A1 POLYALKYL HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1996-04-17 EP disclosed
EP-0706554-A1 POLY(OXYALKYLENE) HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1996-04-17 EP disclosed
US-5484463-A Poly(oxyalkylene) hydroxy and amino aromatic carbamates and fuel compositions containing the same CHEVRON CHEMICAL COMPANY (US) 1996-01-16 US disclosed
WO-1995029975-A1 POLY(OXYALKYLENE) HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1995-11-09 WO disclosed
WO-1995029972-A1 POLYALKYL HYDROXY AND AMINO AROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1995-11-09 WO disclosed
US-5413615-A Fuel additives, antideposit CHEVRON CHEMICAL COMPANY (US) 1995-05-09 US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US 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 (1 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-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA ALDH1A1 4330/4885MAPK1 311/4885HPGD 2498/4885

“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.