SCHEMBL2598259

SCHEMBL2598259

CC(=O)NC(c1cc(Cl)c2cccnc2c1O)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 11/20 1.00
ALOX12 P18054 11/20 1.00
NCOA3 Q9Y6Q9 2/20 1.00
L3MBTL1 Q9Y468 6/20 0.82
HSP90AA1 P07900 3/20 0.70
NCOA1 Q15788 1/20 0.69
POLB P06746 2/20 0.67
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 2/20 0.61
KDM4E B2RXH2 5/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL4037903 0.90 L3MBTL1 (1.00) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL2598271 0.87 ALOX12 (1.00) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL2153766 0.84 NPC1 (0.86) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL1811300 0.82 NPC1 (1.00) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL27790138 0.82 NPC1 (0.80) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL4037950 0.81 NPC1 (0.85) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL27790128 0.81 NPC1 (0.86) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL4035597 0.81 NPC1 (0.86) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL2598267 0.81 NPC1 (1.00) NPC1RAB9AALOX12NCOA3L3MBTL1
SCHEMBL4045007 0.81 NPC1 (0.78) NPC1RAB9AALOX12NCOA3L3MBTL1

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 NPC1 2330/4885RAB9A 2761/4885ALOX12 1/4885

“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.