SCHEMBL14704236

SCHEMBL14704236

CCOc1oc(CCc2ccc(OC)cc2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX3 P56373 1/20 0.43
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GLA P06280 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL14687788 0.87 KDM4E (0.43) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL21878516 0.85 RAB9A (0.42) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL11563719 0.84 KDM4E (0.41) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL14687435 0.84 KDM4E (0.42) RAB9AKDM4EALDH1A1HPGDP2RX3
SCHEMBL20502950 0.83 RAB9A (0.49) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL28356202 0.82 TARBP2 (0.51) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL14702238 0.82 RAB9A (0.46) RAB9AKDM4EALDH1A1HPGDP2RX3
SCHEMBL28352443 0.82 RAB9A (0.40) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL21878515 0.81 RAB9A (0.47) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL20502879 0.81 KDM4E (0.41) RAB9AKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770209-B Novel 5-hydroxypyridine compounds useful as P2X1 and P2X3 receptor antagonists and pharmaceutical compositions containing the same 光州科学技术院 2023-06-30 CN disclosed
US-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-05-03 US disclosed
US-20200131131-A1 NOVEL 5-HYDROXY PYRIDINE-BASED COMPOUND FOR USE AS P2X1 AND P2X3 RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-04-30 US disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 US 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 (3 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-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same P2RX5, P2RX3, P2RX1 RAB9A 3026/4885KDM4E 1863/4885ALDH1A1 1351/4885
US-20200131131-A1 NOVEL 5-HYDROXY PYRIDINE-BASED COMPOUND FOR USE AS P2X1 AND P2X3 RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME P2RX5, P2RX3, P2RX1 RAB9A 3077/4885KDM4E 1918/4885ALDH1A1 1488/4885
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME P2RX3, P2RX1, P2RX2 RAB9A 2696/4885KDM4E 3029/4885ALDH1A1 619/4885

“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.