SCHEMBL657241

SCHEMBL657241

[O]c1ccc(NC2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RORC P51449 1/20 0.40
PLK4 O00444 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PARP14 Q460N5 1/20 0.38
LRRK2 Q5S007 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PIM1 P11309 1/20 0.34
FPR2 P25090 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL657806 0.81 MAPT (0.53) LMNAMAPK1POLBGAAMAPT
SCHEMBL18129725 0.80 KDM1A (0.51) LMNAMAPK1POLBRORCPLK4
SCHEMBL488077 0.80 MAPK1 (0.44) LMNAMAPK1POLBPLK4JAK1
SCHEMBL657242 0.80 MAPK1 (0.44) LMNAMAPK1POLBGAAMAPT
SCHEMBL178453 0.80 MAPK1 (0.53) LMNAMAPK1POLBGAAMAPT
SCHEMBL23247149 0.80 PLK4 (0.54) LMNAMAPK1POLBGAAMAPT
SCHEMBL21259081 0.79 LMNA (0.42) LMNAMAPK1POLBGAAMAPT
SCHEMBL632436 0.79 MAPK1 (0.52) LMNAMAPK1MAPTRORCPLK4
SCHEMBL6120734 0.78 TDP1 (0.49) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL6156080 0.77 CYP2C9 (0.49) LMNAHDAC3HDAC1HDAC2HDAC6

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 LMNA 3734/4885MAPK1 1237/4885POLB 2469/4885

“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.