SCHEMBL10147653

SCHEMBL10147653

C/C(=N\O)c1c(OCc2ccccc2)cc(C)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
PPIA P62937 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PTGES O14684 1/20 0.41
GAA P10253 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
SCHEMBL657536 0.93 CYP19A1 (0.48) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL657535 0.93 CYP19A1 (0.48) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL10147651 0.89 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL656312 0.81 MAOB (0.55) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL10147482 0.80 CYP19A1 (0.46) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL7893784 0.77 GAA (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6730910 0.76 PPIA (0.55) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL654853 0.74 CYP19A1 (0.46) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL10147497 0.73 HSP90AA1 (0.52) CYP19A1MAPTMEN1KMT2A
SCHEMBL10147701 0.72 CYP19A1 (0.43) CYP19A1MAPTMEN1KMT2ASMN1; SMN2

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 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.