SCHEMBL2598296

SCHEMBL2598296

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 11/20 1.00
NPC1 O15118 10/20 0.79
RAB9A P51151 9/20 0.79
KDM4E B2RXH2 4/20 0.79
LMNA P02545 3/20 0.79
POLB P06746 3/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
KMT2A Q03164 3/20 0.79
TDP1 Q9NUW8 2/20 0.79
MEN1 O00255 2/20 0.79
HSP90AA1 P07900 4/20 0.78
HTT P42858 3/20 0.78
TP53 P04637 2/20 0.78
USP2 O75604 1/20 0.78
ALOX15 P16050 1/20 0.78
TSHR P16473 1/20 0.78
L3MBTL1 Q9Y468 4/20 0.77
MAPK1 P28482 1/20 0.68
NCOA3 Q9Y6Q9 2/20 0.67
BRAF P15056 1/20 0.67

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
SCHEMBL5090787 0.90 ALOX12 (0.82) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL17223785 0.89 ALOX12 (0.81) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL609251 0.89 ALOX12 (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL17223781 0.88 KDM4E (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL2598255 0.87 ALOX12 (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL2598272 0.87 ALOX12 (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL2599361 0.85 ALOX12 (0.74) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL610979 0.85 HSP90AA1 (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL1811300 0.84 NPC1 (1.00) ALOX12NPC1RAB9AKDM4ELMNA
SCHEMBL27790138 0.84 NPC1 (0.80) ALOX12NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137079-A1 INHIBITORS OF JMJD2C AS ANTICANCER AGENTS The J. David Gladstone Institutes (US) 2017-03-08 EP claimed
US-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents THE J. DAVID GLADSTONE INSTITUTES 2017-02-16 US claimed
WO-2015167874-A1 INHIBITORS OF JMJD2C AS ANTICANCER AGENTS THE J. DAVID GLADSTONE INSTITUTES (US) 2015-11-05 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 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
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 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
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN disclosed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 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 (2 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-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents KDM2A, KDM1B, KDM5C ALOX12 3591/4885NPC1 3394/4885RAB9A 2430/4885
US-20130096159-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE ALOX12, ALOX15B, ALOX15 ALOX12 1/4885NPC1 2330/4885RAB9A 2761/4885

“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.