SCHEMBL3522483

SCHEMBL3522483

O=C(O)[C@H](O)Cc1ccc(O)c(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.72
ALOX15 P16050 4/20 0.47
SLC7A5 Q01650 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
HTR2A P28223 2/20 0.47
PTGS2 P35354 2/20 0.47
RECQL P46063 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43
PLA2G1B P04054 1/20 0.43
HDAC1 Q13547 9/20 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
SCHEMBL3522487 1.00 KDM6B (0.72) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL2166894 0.86 KDM6B (0.61) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL2166889 0.86 KDM6B (0.61) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL29350434 0.84 KDM6B (1.00) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL29869020 0.84 KDM6B (1.00) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL18469325 0.84 KDM6B (1.00) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL829784 0.84 KDM6B (1.00) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL5691448 0.84 KDM6B (1.00) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL29085430 0.82 KDM6B (0.96) KDM6BALOX15SLC7A5KDM4EUSP2
SCHEMBL6535013 0.82 KDM6B (0.96) KDM6BALOX15SLC7A5KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992349-B1 CGRP antagonists, their preparation and use as a medicament BOEHRINGER INGELHEIM INT (DE) 2013-07-31 EP disclosed
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 EP disclosed
CN-101146790-A 2-okso-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl-piperidiner anvendt som cgrp-antagonister BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
EP-1863791-A1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2007-12-12 EP disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2006100026-A1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4799/4885ALOX15 2988/4885SLC7A5 1031/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4822/4885ALOX15 3029/4885SLC7A5 957/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4822/4885ALOX15 3029/4885SLC7A5 957/4885

“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.