SCHEMBL657806

SCHEMBL657806

[O]c1ccc(NC2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 4/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
IP6K1 Q92551 1/20 0.37
HCAR3 P49019 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11526739 0.83 MAPT (0.63) MAPTPOLBLMNAGAAKDM4E
SCHEMBL657241 0.81 LMNA (0.45) MAPTPOLBLMNAGAAMAPK1
SCHEMBL3400048 0.80 MAPT (0.61) MAPTPOLBLMNAGAAKDM4E
SCHEMBL78145 0.80 MAPT (0.61) MAPTPOLBLMNAGAAKDM4E
SCHEMBL11526941 0.80 MAPT (0.61) MAPTPOLBLMNAGAAKDM4E
SCHEMBL23043997 0.78 LMNA (0.50) MAPTPOLBLMNAGAAKDM4E
SCHEMBL657807 0.77 EPHX1 (0.50) MAPTPOLBLMNAGAAKDM4E
SCHEMBL7794525 0.77 RAB9A (0.51) MAPTPOLBLMNAGAAKDM4E
SCHEMBL19418151 0.77 GAA (0.49) MAPTPOLBLMNAGAAKDM4E
SCHEMBL7584196 0.77 HCAR3 (0.49) MAPTPOLBLMNAGAAMEN1

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 MAPT 84/4885POLB 2469/4885LMNA 3734/4885

“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.