SCHEMBL657536

SCHEMBL657536

CC(=NO)c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 5/20 0.46
MAOA P21397 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPIA P62937 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL657535 1.00 CYP19A1 (0.48) CYP19A1MAPTMEN1KMT2AMAOB
SCHEMBL10147653 0.93 CYP19A1 (0.47) CYP19A1MAPTMEN1KMT2AMAOB
SCHEMBL656312 0.88 MAOB (0.55) CYP19A1MAPTMEN1KMT2AMAOB
SCHEMBL7893784 0.82 GAA (0.44) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL10147651 0.81 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2AMAOB
SCHEMBL654853 0.79 CYP19A1 (0.46) CYP19A1MAPTMEN1KMT2AMAOB
SCHEMBL6730910 0.77 PPIA (0.55) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL4236466 0.77 MAPT (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL13915775 0.77 MAPT (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL6733709 0.75 MAPT (0.66) CYP19A1MAPTMEN1KMT2AMAOB

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 CYP19A1 1582/4885MAPT 84/4885MEN1 3746/4885

“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.