SCHEMBL656718

SCHEMBL656718

Oc1ccc(-c2nnco2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.49
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RUNX1 Q01196 1/20 0.41
CBFB Q13951 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL6769153 0.81 NOTUM (0.68) NOTUMALDH1A1GAAMAPTCA12
Fenadiazole SCHEMBL555484 0.78 NOTUM (0.61) NOTUMALDH1A1NPC1TP53TSHR
SCHEMBL860256 0.74 NOTUM (0.64) NOTUMALDH1A1MAPTHPGDHTT
SCHEMBL13911008 0.73 NOTUM (0.42) NOTUMALDH1A1GAAMAPTHPGD
SCHEMBL16348370 0.73 NOTUM (0.61) NOTUMALDH1A1MAPTHPGDHTT
SCHEMBL31291162 0.72 NOTUM (0.64) NOTUMALDH1A1HPGD
SCHEMBL859977 0.72 NOTUM (0.64) NOTUMALDH1A1HPGD
SCHEMBL12906161 0.68 NOTUM (0.59) NOTUMALDH1A1MAPTHPGDHTT
SCHEMBL29623114 0.68 ALOX5 (0.62) ESR1ESR2ALDH1A1GAAMAPT
SCHEMBL278749 0.68 ALOX5 (0.62) ESR1ESR2ALDH1A1GAAMAPT

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 4 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-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 NOTUM 3612/4885ESR1 2880/4885ESR2 2141/4885

“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.