SCHEMBL161027

SCHEMBL161027

[O]c1c(C(=O)O)ccc2cc3ccccc3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LDHA P00338 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.47
SOS1 Q07889 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
POLB P06746 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL162128 0.84 KDM4E (0.66) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL9649985 0.83 WDR5 (0.69) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL164035 0.82 WDR5 (0.68) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL43510 0.81 KDM4E (0.60) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL15330092 0.81 LDHA (0.70) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL29506855 0.81 KDM4E (0.60) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL31214986 0.80 KDM4E (0.58) WDR5KDM4EALDH1A1HPGDCYP1A2
SCHEMBL22129884 0.80 WDR5 (0.50) WDR5KDM4EALDH1A1HPGDCYP1A2
Potassium SCHEMBL31214909 0.80 KDM4E (0.58) WDR5KDM4EALDH1A1HPGDCYP1A2
Ammonia Solution, Strong SCHEMBL31214905 0.80 KDM4E (0.58) WDR5KDM4EALDH1A1HPGDCYP1A2

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 3074/4885KDM4E 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.