SCHEMBL656840

SCHEMBL656840

CCNC(=O)c1cc(-c2cc(CCc3ccc(F)cc3)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 6/20 0.51
LMNA P02545 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
THRB P10828 2/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 5/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMPD1 P17405 1/20 0.42
FAAH O00519 1/20 0.42
BRD4 O60885 3/20 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
SCHEMBL656918 0.95 HPGD (0.53) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL658488 0.92 ALDH1A1 (0.46) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL658114 0.88 HPGD (0.53) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL12939121 0.87 HPGD (0.52) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL658501 0.87 MAPT (0.53) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL11994106 0.85 ALDH1A1 (0.52) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL659699 0.84 HPGD (0.48) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL659323 0.83 MAPT (0.49) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL659322 0.83 MAPT (0.49) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL658113 0.83 HPGD (0.52) MAPTALDH1A1NPSR1HPGDLMNA

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 MAPT 84/4885ALDH1A1 1996/4885NPSR1 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.