SCHEMBL10183029

SCHEMBL10183029

O=Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NCc3ccccc3)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.60
HSP90AB1 P08238 11/20 0.56
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10147523 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL10147535 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1HPGDHSD17B10ALDH1A1
SCHEMBL658566 0.86 HSP90AA1 (0.77) HSP90AA1HSP90AB1HPGDHSD17B10ALDH1A1
SCHEMBL10147525 0.85 HSP90AA1 (0.74) HSP90AA1HSP90AB1
SCHEMBL10147528 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL10147568 0.85 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL10181701 0.84 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL10147529 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1HPGDHSD17B10ALDH1A1
SCHEMBL10180486 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL10182285 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885HPGD 589/4885

“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.