SCHEMBL5214823

SCHEMBL5214823

O=C(O)c1cc(C2CCCCC2)cc(C(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMO O15229 2/20 0.53
ACMSD Q8TDX5 3/20 0.49
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
HCAR2 Q8TDS4 2/20 0.46
DHODH Q02127 2/20 0.43
LDHA P00338 1/20 0.42
HAO1 Q9UJM8 1/20 0.39
S1PR1 P21453 1/20 0.39
ABL1 P00519 1/20 0.38
TBK1 Q9UHD2 3/20 0.38
S1PR3 Q99500 2/20 0.37

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
SCHEMBL19194720 0.83 KMT2A (0.44) HIF1AKDM4ETDP1GLAHTT
SCHEMBL5214284 0.79 KMT2A (0.41) HIF1AKDM4ETDP1GLAHTT
SCHEMBL3922871 0.79 KDM4E (0.59) HIF1AKDM4ETDP1GLAHTT
SCHEMBL30912307 0.78 KMO (0.70) HIF1AKDM4ETDP1GLAHTT
SCHEMBL8613401 0.76 KMO (0.68) HIF1AKDM4ETDP1GLAHTT
SCHEMBL17595006 0.75 CYP1A2 (0.50) KDM4EKMT2ASMN1; SMN2ALOX15
SCHEMBL21199915 0.74 RBP4 (0.41) HIF1AKDM4ETDP1GLAHTT
SCHEMBL27893460 0.74 KMO (0.65) HIF1AKDM4ETDP1GLAHTT
SCHEMBL778084 0.73 CYP11B2 (0.46) HIF1AKDM4ETDP1GLAHTT
SCHEMBL17323525 0.73 KMO (0.50) HIF1AKDM4ETDP1GLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed
EP-1420019-B1 Substituted pyridino pentaazamacrocyle ligands MONSANTO CO (US) 2007-07-25 EP disclosed
EP-1420022-B1 Use of substituted pyridino pentaazamacrocyle complexes having superoxide dismutase activity MONSANTO CO (US) 2007-07-04 EP disclosed
EP-1212323-B1 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO CO (US) 2004-06-09 EP disclosed
EP-1420022-A1 Substituted pyridino pentaazamacrocyle complexes having superoxide dismutase activity MONSANTO COMPANY (US) 2004-05-19 EP disclosed
EP-1420019-A1 Substituted pyridino pentaazamacrocyle ligands having superoxide dismutase activity MONSANTO COMPANY (US) 2004-05-19 EP disclosed
WO-2001019823-A9 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO CO (US) 2002-09-26 WO disclosed
EP-1212323-A2 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO COMPANY (US) 2002-06-12 EP disclosed
US-6214817-B1 NITROGEN MACROCYCLE COMPLEXES WITH MANGANESE AND IRON MONSANTO COMPANY 2001-04-10 US disclosed
WO-2001019823-A2 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO COMPANY (US) 2001-03-22 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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 HIF1A 253/4885KDM4E 750/4885TDP1 2993/4885

“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.