SCHEMBL1783432

SCHEMBL1783432

O=C(CON=C1CC(c2ccccc2-c2ccccc2)Cc2ncncc21)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PTGS2 P35354 1/20 0.36
USP2 O75604 1/20 0.36
PDK2 Q15119 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2B Q13224 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35

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
SCHEMBL1781372 0.87 FKBP1A (0.37) FKBP1AACHEALDH1A1KDM4EMAPT
SCHEMBL12075697 0.87 FKBP1A (0.37) FKBP1AACHEALDH1A1KDM4EMAPT
SCHEMBL12075552 0.80 KDM4E (0.39) FKBP1AACHEALDH1A1KDM4EMAPT
SCHEMBL1779369 0.80 KDM4E (0.39) FKBP1AACHEALDH1A1KDM4EMAPT
SCHEMBL12075128 0.73 KDM4E (0.42) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL1781550 0.73 KDM4E (0.42) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL1782463 0.73 MAPT (0.40) ALDH1A1MAPTKMT2AGAA
SCHEMBL1782465 0.73 MAPT (0.40) ALDH1A1MAPTKMT2AGAA
SCHEMBL12075164 0.72 ALDH1A1 (0.47) FKBP1AALDH1A1KDM4EMAPTRAB9A
SCHEMBL1781946 0.72 ALDH1A1 (0.47) FKBP1AALDH1A1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 FKBP1A 52/4885ACHE 4676/4885ALDH1A1 1998/4885

“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.