SCHEMBL2598263

SCHEMBL2598263

CCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
ALOX12 P18054 12/20 1.00
HTT P42858 12/20 0.88
TDP1 Q9NUW8 11/20 0.88
SMN1; SMN2 Q16637 11/20 0.88
MAPT P10636 11/20 0.88
MEN1 O00255 10/20 0.88
KMT2A Q03164 10/20 0.88
NPSR1 Q6W5P4 1/20 0.88
LMNA P02545 11/20 0.75
L3MBTL1 Q9Y468 11/20 0.75
PSMD14 O00487 2/20 0.74
MMP2 P08253 2/20 0.74
MDM2 Q00987 1/20 0.74
POLB P06746 3/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 2/20 0.73
TP53 P04637 2/20 0.65
HSP90AA1 P07900 2/20 0.64
USP2 O75604 1/20 0.64

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
SCHEMBL609917 0.94 KDM4E (1.00) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL26241585 0.91 KDM4E (0.91) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL12839880 0.89 ALOX12 (0.81) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL609277 0.86 KDM4E (1.00) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL610895 0.85 ALOX12 (1.00) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL609251 0.84 ALOX12 (1.00) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL2598261 0.84 ALOX12 (1.00) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL2153206 0.84 ADAMTS5 (0.78) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL13310332 0.83 KDM4E (0.81) KDM4EALOX12HTTTDP1SMN1; SMN2
SCHEMBL2153763 0.83 KDM4E (0.73) KDM4EALOX12HTTTDP1SMN1; 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 7 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
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 (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 KDM4E 17/4885ALOX12 3591/4885HTT 3894/4885
US-20130096159-A1 INHIBITORS OF HUMAN 12-LIPOXYGENASE ALOX12, ALOX15B, ALOX15 KDM4E 2798/4885ALOX12 1/4885HTT 2244/4885

“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.