SCHEMBL2598255

SCHEMBL2598255

CC(=O)NC(c1ccco1)c1cc(Br)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 13/20 1.00
L3MBTL1 Q9Y468 8/20 1.00
NPC1 O15118 9/20 0.77
RAB9A P51151 7/20 0.71
KDM4E B2RXH2 7/20 0.71
LMNA P02545 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
HTT P42858 5/20 0.71
TP53 P04637 3/20 0.71
MAPK1 P28482 2/20 0.71
TDP1 Q9NUW8 4/20 0.61
POLB P06746 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HSP90AA1 P07900 4/20 0.60
TSHR P16473 2/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
MITF O75030 1/20 0.57
KDM4C Q9H3R0 1/20 0.57

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
SCHEMBL2598261 0.89 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL2598272 0.87 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL2598296 0.87 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL12839880 0.83 ALOX12 (0.81) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL29509652 0.83 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL2598269 0.83 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL5090787 0.77 ALOX12 (0.82) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL17223785 0.77 ALOX12 (0.81) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL609251 0.76 ALOX12 (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E
SCHEMBL17223781 0.75 KDM4E (1.00) ALOX12L3MBTL1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096159-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE The United States of America, as represented the Secretary Department of Health & Human Service (US) 2013-04-18 US claimed
EP-2571853-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP claimed
WO-2011146618-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-24 WO claimed
US-20130096159-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE The United States of America, as represented the Secretary Department of Health & Human Service (US) 2013-04-18 US disclosed
EP-2571853-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
WO-2011146618-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-24 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-20130096159-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE ALOX12, ALOX15B, ALOX15 ALOX12 1/4885L3MBTL1 643/4885NPC1 2330/4885

“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.