SCHEMBL163233

SCHEMBL163233

[O]c1nccc(C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
KDM5A P29375 2/20 0.55
KDM3A Q9Y4C1 2/20 0.55
JMJD1C Q15652 1/20 0.55
ALOX15 P16050 3/20 0.50
TSHR P16473 2/20 0.50
ACMSD Q8TDX5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM6B O15054 1/20 0.47
TET3 O43151 1/20 0.47
KDM4A O75164 1/20 0.47
BBOX1 O75936 1/20 0.47
MAPT P10636 1/20 0.47
KDM5C P41229 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47

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
SCHEMBL3590598 0.80 ALDH1A1 (0.47) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL163636 0.80 ADORA3 (0.42) KDM4EKDM5AKDM3AJMJD1CTSHR
SCHEMBL1505808 0.79 KDM4E (0.57) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL31126262 0.77 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL87765 0.77 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL3560191 0.77 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL1457909 0.76 KDM4E (0.58) KDM4EKDM5AKDM3AJMJD1CALOX15
Hydrochloric Acid SCHEMBL21173938 0.76 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL7695328 0.76 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALOX15
Bromide SCHEMBL21331919 0.76 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALOX15

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 2214/4885KDM5A 1920/4885KDM3A 521/4885

“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.