SCHEMBL1785970

SCHEMBL1785970

Oc1cccc(-n2cccn2)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
G6PD P11413 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.55
ADAMTS4 O75173 1/20 0.42
EGFR P00533 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
FYN P06241 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MMP8 P22894 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
SCHEMBL29660514 0.86 KDM4E (0.64) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL206362 0.86 KDM4E (0.64) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL6287527 0.83 KDM4E (0.52) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL31533497 0.83 KDM4E (0.56) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL27343976 0.83 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL24498386 0.79 KDM4E (0.51) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL29186553 0.79 KDM4E (0.47) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL9049314 0.79 LMNA (0.51) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL4341886 0.78 MAPK1 (0.67) ALDH1A1LMNAKDM4EMEN1GAA
SCHEMBL16879974 0.77 KDM4E (1.00) ALDH1A1LMNAKDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155969-B2 Polystyrene-based structural materials GAINES DANIEL P (US) 2021-10-26 US disclosed
US-20180313041-A1 Polystyrene-Based Structural Materials GAINES DANIEL P (US) 2018-11-01 US disclosed
WO-2018045387-A1 POLYMER NANOPARTICLE THERMAL INSULATORS NanoSD Inc. (US) 2018-03-08 WO disclosed
US-20180066131-A1 POLYMER NANOPARTICLE THERMAL INSULATORS NanoSD Inc. 2018-03-08 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
WO-2013064919-A1 QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY DAC SRL (IT) 2013-05-10 WO disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP 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 ALDH1A1 1998/4885LMNA 4565/4885KDM4E 2835/4885

“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.