SCHEMBL1785972

SCHEMBL1785972

Oc1[nH]nc(-c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
MAPK10 P53779 2/20 0.50
ALPL P05186 1/20 0.50
IDO1 P14902 1/20 0.50
TTK P33981 1/20 0.50
ALOX15 P16050 1/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
GFER P55789 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CSF1R P07333 2/20 0.43
FLT3 P36888 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8081940 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL15713879 0.81 MEN1 (0.49) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL1528572 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL10964298 0.79 MAP2K4 (0.47) ALDH1A1KDM4EHPGDGAAMAPK10
Bromide SCHEMBL11863184 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGAAMAPK10
Hydrochloric Acid SCHEMBL11875073 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL30639623 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL8842823 0.76 RAB9A (0.50) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL18770477 0.75 HSP90AA1 (0.44) ALDH1A1KDM4EHPGDGAAMAPK10
SCHEMBL28003108 0.75 SMPD3 (0.46) ALDH1A1KDM4EHPGDGAAMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102170787-A Compounds, compositions and methods for the treatment of beta-amyloid diseases and synucleinopathies PROTEOTECH INC 2011-08-31 CN claimed
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
CN-101720318-B Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SRL 2014-03-12 CN 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
CN-101720318-A Quinazoline-oxime derivatives as Hsp90 inhibitors DAC SRL 2010-06-02 CN 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 1998/4885KDM4E 2835/4885HPGD 886/4885

“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.