SCHEMBL658554

SCHEMBL658554

CCNC(=O)c1cc(-c2cc(C=Cc3cccc(F)c3)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 6/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMPD1 P17405 1/20 0.40
BRD4 O60885 3/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 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
SCHEMBL658553 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL655653 0.92 HPGD (0.48) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL655654 0.92 HPGD (0.48) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL659323 0.92 MAPT (0.49) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL659322 0.92 MAPT (0.49) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL12939122 0.85 HPGD (0.46) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL19638181 0.83 HPGD (0.49) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL658488 0.82 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL14979278 0.82 CNR2 (0.47) ALDH1A1MAPTNPSR1HPGDHSD17B10
SCHEMBL658114 0.81 HPGD (0.53) ALDH1A1MAPTNPSR1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
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 ALDH1A1 1996/4885MAPT 84/4885NPSR1 3684/4885

“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.