SCHEMBL160289

SCHEMBL160289

[O]c1c(C(=O)O)ccc2c1ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.61
LDHA P00338 1/20 0.59
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
HPRT1 P00492 1/20 0.52
SOS1 Q07889 2/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CDC25B P30305 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL164035 0.90 WDR5 (0.68) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL163095 0.84 HPRT1 (0.50) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL11928243 0.81 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL31613859 0.81 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL183135 0.81 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7585579 0.81 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL2537370 0.81 LDHA (0.82) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL1261457 0.81 NR4A1 (0.77) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL1000484 0.81 NR4A1 (0.77) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL15110010 0.80 WDR5 (0.59) WDR5LDHANR4A1NR4A2NR4A3

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 WDR5 3074/4885LDHA 168/4885NR4A1 4691/4885

“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.