SCHEMBL162479

SCHEMBL162479

COC(=O)n1ccnc1[O]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPO P22079 4/20 0.43
CYP3A4 P08684 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
OPRD1 P41143 1/20 0.31
P2RX4 Q99571 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14825913 0.82 LPO (0.44) LPOCYP3A4MEN1KMT2ABCHE
SCHEMBL165585 0.81 LPO (0.46) LPOBCHEKDM4EHSD17B10JMJD6
SCHEMBL159835 0.79 GPR119 (0.38) BCHEL3MBTL1OPRD1
SCHEMBL162055 0.79 BCHE (0.38) BCHETSHRSMN1; SMN2JMJD6OPRD1
SCHEMBL27348053 0.78 LPO (0.42) LPOCYP3A4MEN1KMT2ABCHE
SCHEMBL164500 0.77 JMJD6 (0.38) LPOCYP3A4BCHEKDM4ECYP2D6
SCHEMBL162364 0.76 BCHE (0.33) BCHESMN1; SMN2
SCHEMBL159377 0.75 P2RX4 (0.40) LPOMEN1KMT2AL3MBTL1TSHR
SCHEMBL31265307 0.74 LPO (0.39) LPOCYP3A4MEN1KMT2ABCHE
SCHEMBL161242 0.74 KMT2A (0.41) KMT2AL3MBTL1SMN1; SMN2

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 LPO 41/4885CYP3A4 4157/4885MEN1 4776/4885

“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.