SCHEMBL162173

SCHEMBL162173

CCNC(=O)c1nc([O])co1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HPGD P15428 2/20 0.34
CNR1 P21554 1/20 0.34
NPC1 O15118 1/20 0.34
PIN1 Q13526 1/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.32
ALOX15 P16050 1/20 0.32
GAA P10253 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL164299 0.86 POLB (0.44) KDM4EHPGDNPC1KMT2AL3MBTL1
SCHEMBL162174 0.82 HDAC4 (0.38) KDM4ENPSR1HSD17B10HDAC4HDAC6
SCHEMBL160114 0.79 PLK1 (0.33) KDM4ENPSR1HDAC4HDAC6HPGD
SCHEMBL163237 0.72 NPSR1 (0.41) KDM4ENPSR1HSD17B10HPGDKMT2A
SCHEMBL162739 0.71 CNR1 (0.40) KDM4ENPSR1HSD17B10HDAC4HDAC6
SCHEMBL161794 0.71 CYP1A2 (0.44) KDM4ENPSR1HSD17B10HPGDNPC1
SCHEMBL164833 0.70
SCHEMBL30586797 0.69 CES1 (0.38) KDM4ENPSR1HSD17B10HDAC4HDAC6
SCHEMBL6613705 0.69 FAAH (0.43) HDAC4HDAC6HDAC1
SCHEMBL166417 0.69 ALDH1A1 (0.43) KDM4EHPGDNPC1KMT2AL3MBTL1

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 2214/4885NPSR1 4694/4885HSD17B10 3364/4885

“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.