SCHEMBL658488

SCHEMBL658488

CCNC(=O)c1cc(-c2cc(CCc3cccc(F)c3)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL656840 0.92 MAPT (0.52) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL656918 0.92 HPGD (0.53) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL658114 0.87 HPGD (0.53) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL12939121 0.85 HPGD (0.52) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL659699 0.83 HPGD (0.48) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL658501 0.83 MAPT (0.53) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL11994106 0.83 ALDH1A1 (0.52) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL658554 0.82 ALDH1A1 (0.43) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL658553 0.82 ALDH1A1 (0.43) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL658113 0.82 HPGD (0.52) ALDH1A1HPGDMAPTLMNASMN1; 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 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 1996/4885HPGD 589/4885MAPT 84/4885

“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.