SCHEMBL163548

SCHEMBL163548

CC(C)CNC(=O)n1ccnc1[O]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 2/20 0.34
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL165609 0.81 KMT2A (0.38) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL29786316 0.80 ASAH1 (0.39) ASAH1HSD17B10KDM4ETP53ALDH1A1
SCHEMBL160287 0.79 BCHE (0.41) ASAH1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL165206 0.78 BCHE (0.38) HSD17B10KDM4EALDH1A1SMN1; SMN2TTK
SCHEMBL160349 0.76 ASAH1 (0.46) ASAH1CYP2D6SMN1; SMN2LMNA
SCHEMBL163375 0.76 MAPT (0.43) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL162364 0.75 BCHE (0.33) SMN1; SMN2LMNA
SCHEMBL163515 0.72 ASAH1 (0.48) ASAH1HSD17B10KDM4EALDH1A1CYP2D6
SCHEMBL162860 0.71 BCHE (0.38) HSD17B10KDM4ETP53ALDH1A1KMT2A
SCHEMBL159377 0.71 P2RX4 (0.40) ASAH1ALDH1A1KMT2AHPGDMEN1

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 ASAH1 1322/4885HSD17B10 3364/4885KDM4E 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.