SCHEMBL3846360

SCHEMBL3846360

BrCCc1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.54
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MET P08581 6/20 0.47
CHKA P35790 1/20 0.46

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
SCHEMBL6358947 0.90 DAO (0.51) DAONPC1POLBRAB9AALDH1A1
SCHEMBL20593165 0.86 CYP1A2 (0.55) DAONPC1POLBRAB9AALDH1A1
SCHEMBL1721002 0.85 NPC1 (0.57) DAONPC1POLBRAB9AALDH1A1
Hydrochloric Acid SCHEMBL27757950 0.84 CYP1A2 (0.53) DAONPC1POLBRAB9AALDH1A1
Bromide SCHEMBL27470539 0.84 CYP1A2 (0.53) DAONPC1POLBRAB9AALDH1A1
SCHEMBL25354572 0.82 DAO (0.57) DAONPC1POLBRAB9AALDH1A1
SCHEMBL5528688 0.82 ALDH1A1 (0.55) DAONPC1POLBRAB9AALDH1A1
SCHEMBL2597877 0.82 ALDH1A1 (0.59) DAONPC1POLBRAB9AALDH1A1
SCHEMBL5546704 0.82 DAO (0.54) DAONPC1POLBRAB9AALDH1A1
SCHEMBL30173448 0.82 DAO (0.57) DAONPC1POLBRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325497-B1 QUINSTATIN COMPOUNDS UNIV ARIZONA STATE (US) 2020-09-02 EP disclosed
EP-3325497-B1 QUINSTATIN COMPOUNDS UNIV ARIZONA STATE (US) 2020-09-02 EP disclosed
US-10435435-B2 Quinstatin compounds THE ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-08 US disclosed
US-20180371012-A1 QUINSTATIN COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-12-27 US disclosed
EP-3325497-A1 QUINSTATIN COMPOUNDS Pettit, George, Robert (US) 2018-05-30 EP disclosed
WO-2017019489-A1 QUINSTATIN COMPOUNDS PETTIT GEORGE ROBERT (US) 2017-02-02 WO disclosed
WO-2017019489-A1 QUINSTATIN COMPOUNDS PETTIT GEORGE ROBERT (US) 2017-02-02 WO disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 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 (3 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET DAO 1343/4885NPC1 312/4885POLB 1502/4885
US-10435435-B2 Quinstatin compounds QTRT1, COQ8A, QPCT DAO 1977/4885NPC1 1585/4885POLB 940/4885
US-20180371012-A1 QUINSTATIN COMPOUNDS QTRT1, COQ8A, QPCT DAO 1977/4885NPC1 1585/4885POLB 940/4885

“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.