SCHEMBL656837

SCHEMBL656837

Oc1ccc(-c2ccno2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
HSP90AA1 P07900 1/20 0.44
ALOX5 P09917 1/20 0.41
TYR P14679 1/20 0.40
PTPN1 P18031 1/20 0.40
PTGS1 P23219 1/20 0.40
BACE1 P56817 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2415309 0.78 EPHX2 (0.58) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1883156 0.76 EPHX2 (0.65) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4053851 0.73 EPHX2 (0.67) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1187704 0.72 NOTUM (0.63) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1628070 0.72 EPHX2 (0.65) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL2794646 0.72 EPHX2 (1.00) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL5648256 0.71 HSD17B1 (0.51) EPHX2ALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL2414981 0.71 ALDH1A1 (1.00) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14125002 0.69 NOTUM (0.56) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL29623114 0.69 ALOX5 (0.62) KDM4EALDH1A1GAAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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 (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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P EPHX2 2775/4885KDM4E 3420/4885ALDH1A1 1996/4885

“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.