SCHEMBL162453

SCHEMBL162453

CCCNC(=O)c1nccnc1[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
NAAA Q02083 1/20 0.38
MEN1 O00255 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL162819 0.90 KDM4E (0.50) POLBTDP1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL15204761 0.85 KMT2A (0.41) KDM4EL3MBTL1KMT2APDE4APDE4B
SCHEMBL16088176 0.82 KMT2A (0.56) POLBTDP1KDM4EGABRG2GABRB3
SCHEMBL161702 0.77 KMT2A (0.45) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL164943 0.75 YTHDC1 (0.37) KDM4EMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL162691 0.75 TSHR (0.51) POLBTDP1KDM4EL3MBTL1KMT2A
SCHEMBL30131325 0.73 PDE4B (0.48) POLBTDP1GABRG2GABRB3GABRA2
SCHEMBL165274 0.72 MEN1 (0.46) POLBMAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL16088178 0.72 KMT2A (0.54) POLBTDP1KDM4EMAPTSMN1; SMN2
SCHEMBL19176808 0.72 KDM4E (0.50) POLBTDP1KDM4ESMN1; SMN2L3MBTL1

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 POLB 690/4885TDP1 56/4885KDM4E 2214/4885

“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.