SCHEMBL532173

SCHEMBL532173

O=[N+]([O-])c1cc(CCl)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 3/20 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
SCHEMBL8938530 0.86 POLB (0.57) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL11328176 0.85 GPR35 (0.56) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL30477507 0.85 SNCA (0.62) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL69585 0.85 SNCA (0.62) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL11002820 0.85 MAPK1 (0.60) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL1736272 0.83 POLB (0.62) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL3529585 0.81 POLB (0.56) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL1025776 0.81 POLB (0.56) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL346032 0.81 POLB (0.65) POLBMAPK1TSHRALDH1A1TP53
SCHEMBL7126615 0.81 POLB (0.52) POLBMAPK1TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8476455-B2 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2013-07-02 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2007-05-17 US disclosed
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed
US-4317887-A NUCLEOPHILIC-MODIFIED POLYACRYLAMIDE, POLYSTYRENE, AND DIVINYLBENZENE-STYRENE COPOLYMER; ION EXCHANGE RESINS; FIREPROOFING YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1982-03-02 US disclosed
US-4215219-A CHELATING AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-07-29 US disclosed
US-4085261-A CHELATING AGENT WITH A STYRENE POLYMER BACKBONE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-04-18 US disclosed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US disclosed
US-3974110-A Modification of polystyrene by Friedel-Crafts reaction with substituted halo ethyl benzenes and haloethylphenols to make supports for solid phase peptide synthesis YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-08-10 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 (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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 POLB 25/4885MAPK1 2862/4885TSHR 4503/4885
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them H1-0, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 4013/4885MAPK1 2756/4885TSHR 2960/4885

“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.