SCHEMBL2598261

SCHEMBL2598261

CCC(=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 16/20 1.00
L3MBTL1 Q9Y468 7/20 0.79
KDM4E B2RXH2 11/20 0.78
NPC1 O15118 7/20 0.78
RAB9A P51151 5/20 0.78
TDP1 Q9NUW8 4/20 0.78
LMNA P02545 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
POLB P06746 2/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
HTT P42858 4/20 0.68
HSP90AA1 P07900 3/20 0.68
TP53 P04637 3/20 0.68
TSHR P16473 2/20 0.68
USP2 O75604 1/20 0.68
ALOX15 P16050 1/20 0.68
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 2/20 0.56

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
SCHEMBL2598255 0.89 ALOX12 (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL609251 0.88 ALOX12 (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL2598263 0.84 KDM4E (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL17223778 0.84 RAB9A (0.78) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL2598274 0.84 ALOX12 (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL17223781 0.81 KDM4E (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL610979 0.79 HSP90AA1 (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL609917 0.78 KDM4E (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL2598337 0.77 ALOX12 (1.00) ALOX12L3MBTL1KDM4ENPC1RAB9A
SCHEMBL2598292 0.77 ALOX12 (0.80) ALOX12L3MBTL1KDM4ENPC1RAB9A

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 4 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
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 643/4885KDM4E 2798/4885

“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.