SCHEMBL163637

SCHEMBL163637

[O]c1ccnc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
ALDH1A1 P00352 5/20 0.63
KDM5A P29375 2/20 0.63
KDM3A Q9Y4C1 2/20 0.63
KDM4A O75164 2/20 0.63
KDM5C P41229 2/20 0.63
KDM5B Q9UGL1 2/20 0.63
ASPH Q12797 2/20 0.63
KDM8 Q8N371 2/20 0.63
KDM6B O15054 1/20 0.63
TET3 O43151 1/20 0.63
BBOX1 O75936 1/20 0.63
MAPT P10636 1/20 0.63
KDM4D Q6B0I6 1/20 0.63
TET2 Q6N021 1/20 0.63
ALKBH5 Q6P6C2 1/20 0.63
KDM7A Q6ZMT4 1/20 0.63
TET1 Q8NFU7 1/20 0.63
EGLN2 Q96KS0 1/20 0.63
FTO Q9C0B1 1/20 0.63

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
SCHEMBL7513922 0.81 KMO (0.71) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL30800092 0.81 KMO (0.71) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL159513 0.80 ADORA3 (0.47) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL29951101 0.77 KDM4E (0.63) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL29382783 0.77 KDM5C (1.00) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL72377 0.77 KDM5C (1.00) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL65841 0.77 KDM4E (0.63) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL163711 0.77 KDR (0.48) KDM4EALDH1A1MAPTKDM4CLMNA
Hydrochloric Acid SCHEMBL10778857 0.76 KDM5C (0.96) KDM4EALDH1A1KDM5AKDM3AKDM4A
SCHEMBL202448 0.76 ALDH1A1 (0.61) KDM4EALDH1A1KDM5AKDM3AKDM4A

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
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 KDM4E 2214/4885ALDH1A1 1667/4885KDM5A 1920/4885

“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.