SCHEMBL656618

SCHEMBL656618

CCOC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
MAPT P10636 6/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 1/20 0.40
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL10147697 0.95 MAOB (0.43) MAOBGABRA1GABRG2GABRB3GABRA5
SCHEMBL657321 0.90 MAPT (0.46) MAOBMAPTRAB9AALDH1A1KMT2A
SCHEMBL10147701 0.86 CYP19A1 (0.43) MAOBMAPTKMT2AMEN1CYP19A1
SCHEMBL7890883 0.86 MAPT (0.42) MAOBMAPTRAB9AALDH1A1KMT2A
SCHEMBL657048 0.85 MAPT (0.52) MAOBMAPTRAB9AALDH1A1KMT2A
SCHEMBL656734 0.84 HSP90AA1 (0.43) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL656954 0.84 HSP90AA1 (0.51) MAOBGABRA1GABRG2GABRB3GABRA5
SCHEMBL657218 0.83 HSP90AA1 (0.51) MAOBMAPTKMT2AMEN1CYP19A1
SCHEMBL10147694 0.81 HSP90AA1 (0.42) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL657051 0.81 MAOB (0.46) MAOBMAPTRAB9AALDH1A1KMT2A

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 MAOB 3733/4885GABRA1 3925/4885GABRG2 3381/4885

“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.