SCHEMBL162128

SCHEMBL162128

NC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
ALDH1A1 P00352 6/20 0.66
GAA P10253 2/20 0.66
IRAK4 Q9NWZ3 1/20 0.41
IKBKB O14920 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL161027 0.84 WDR5 (0.52) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL165467 0.83 WDR5 (0.50) KDM4EALDH1A1GAAIKBKBKMT2A
SCHEMBL5747379 0.82 KDM4E (0.66) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL10500899 0.82 KDM4E (0.66) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL31425004 0.82 KDM4E (0.66) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL29203874 0.81 KDM4E (0.64) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL634215 0.79 KDM4E (1.00) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL29498815 0.79 KDM4E (1.00) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL29100415 0.79 KDM4E (1.00) KDM4EALDH1A1GAAIRAK4IKBKB
SCHEMBL30181949 0.79 KDM4E (1.00) KDM4EALDH1A1GAAIRAK4IKBKB

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 1667/4885GAA 131/4885

“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.