SCHEMBL163690

SCHEMBL163690

NC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PARP1 P09874 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 1/20 0.42
PLAU P00749 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PSMD14 O00487 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
SCHEMBL158321 0.85 KDM4E (0.46) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL162926 0.84 MEN1 (0.48) KDM4EALDH1A1GAATSHRCYP2C19
SCHEMBL29224833 0.82 KDM4E (0.66) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL5748974 0.82 KDM4E (0.51) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL163477 0.78 PLK1 (0.44) KDM4EALDH1A1TSHRPLAUPSMD14
SCHEMBL162792 0.78 TSHR (0.47) KDM4EALDH1A1GAAPOLBTSHR
SCHEMBL163748 0.76 ALDH1A1 (0.47) KDM4EALDH1A1PARP1POLBCYP3A4
SCHEMBL30350858 0.75 LCK (0.70) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL607170 0.75 LCK (0.70) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL30277311 0.75 LCK (0.70) KDM4EALDH1A1GAAPARP1POLB

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.