SCHEMBL10147487

SCHEMBL10147487

Cc1cc(OCc2ccccc2)c(-c2cc(C(=O)NCCO)no2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.58
HSP90AB1 P08238 11/20 0.58
AKR1C3 P42330 2/20 0.45
SMPD1 P17405 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL10147496 0.94 HSP90AA1 (0.68) HSP90AA1HSP90AB1AKR1C3SMPD1NPC1
SCHEMBL657151 0.94 HSP90AA1 (0.60) HSP90AA1HSP90AB1AKR1C3SMPD1NPC1
SCHEMBL10147476 0.93 HSP90AA1 (0.68) HSP90AA1HSP90AB1AKR1C3SMPD1MAPT
SCHEMBL10147497 0.89 HSP90AA1 (0.52) HSP90AA1HSP90AB1SMPD1MAPTCYP19A1
SCHEMBL658092 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1AKR1C3SMPD1NPC1
SCHEMBL656563 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1AKR1C3SMPD1CYP19A1
SCHEMBL10147481 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1GAAMAPT
SCHEMBL10147694 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1AKR1C3LMNAMAPT
SCHEMBL656613 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMPD1CYP19A1
SCHEMBL7896455 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1SMPD1NPC1LMNA

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 2 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
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 1/4885AKR1C3 2035/4885

“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.