SCHEMBL2887765

SCHEMBL2887765

O=[N+]([O-])c1cccc(Sc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.69
LMNA P02545 4/20 0.59
TSHR P16473 3/20 0.59
PDE7A Q13946 2/20 0.58
ALDH1A1 P00352 5/20 0.56
NFE2L2 Q16236 1/20 0.53
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL11356136 0.94 HSP90AA1 (0.77) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL31405188 0.94 HSP90AA1 (0.77) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL20591230 0.86 HSP90AA1 (0.61) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL18550254 0.86 HSP90AA1 (0.61) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL10650255 0.85 TP53 (0.61) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL4801505 0.84 TSHR (0.70) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL11635203 0.82 HSP90AA1 (0.56) HSP90AA1LMNATSHRPDE7AALDH1A1
SCHEMBL11662774 0.82 NFE2L2 (0.57) HSP90AA1LMNATSHRALDH1A1NFE2L2
SCHEMBL288227 0.82 HSP90AA1 (1.00) HSP90AA1LMNATSHRALDH1A1NFE2L2
SCHEMBL20347051 0.82 HSP90AA1 (0.77) HSP90AA1LMNATSHRALDH1A1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396316-B1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
US-8937078-B2 Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
EP-2396316-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-12-21 EP disclosed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO disclosed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
US-4238619-A Method for making aryl onium salts of group via elements GENERAL ELECTRIC COMPANY (US) 1980-12-09 US disclosed
US-4164412-A HERBICIDES, ANTIINFLAMMATORY, ANALGESIC MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-08-14 US disclosed
US-4086255-A HERBICIDES, ANTIINFLAMMATORY AGENTS, ANALGESIC AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-04-25 US disclosed
US-4005141-A HERBICIDES, ANTIINFLAMMATORY AGENTS, ANALGESICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-01-25 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-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 HSP90AA1 555/4885LMNA 2710/4885TSHR 3968/4885
US-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 HSP90AA1 3827/4885LMNA 4839/4885TSHR 122/4885

“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.