SCHEMBL161825

SCHEMBL161825

[O]c1nnccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.46
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NAPRT Q6XQN6 3/20 0.41
KDM4C Q9H3R0 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
KDM4A O75164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM6B O15054 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL164572 0.80 SIRT3 (0.38) KDM5BKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL4769775 0.77 KDM5B (0.46) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL5769273 0.77 KDM4E (0.52) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL29950739 0.76 GABRP (0.47) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL31092459 0.76 SMN1; SMN2 (0.53) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL344084 0.76 GABRP (0.47) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL1623759 0.76 SMN1; SMN2 (0.53) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL20928648 0.76 KDM5B (0.45) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL29955782 0.76 NAPRT (0.53) KDM5BKDM4EALDH1A1L3MBTL1NAPRT
SCHEMBL3243133 0.76 NAPRT (0.53) KDM5BKDM4EALDH1A1L3MBTL1NAPRT

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 KDM5B 2055/4885KDM4E 2214/4885ALDH1A1 1667/4885

“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.