SCHEMBL162468

SCHEMBL162468

CC(C)CNC(=O)c1ccnnc1[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HPGD P15428 2/20 0.41
MLYCD O95822 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CNR2 P34972 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL165748 0.82 L3MBTL1 (0.41) KMT2AGAAPOLBTSHRHTT
SCHEMBL163082 0.79 POLB (0.49) KMT2AHSD17B10GAAPOLBTSHR
SCHEMBL161919 0.79 ALOX5 (0.41) GAASMN1; SMN2TSHRHTTADRA1D
SCHEMBL164226 0.78 POLB (0.50) KMT2AHSD17B10GAAMEN1SMN1; SMN2
SCHEMBL161246 0.77 MEN1 (0.53) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL163036 0.77 TSHR (0.57) GAASMN1; SMN2TSHRHTTADRA1D
SCHEMBL161696 0.76 GAA (0.40) GAASMN1; SMN2TSHRHTTADRA1D
SCHEMBL163649 0.72 HTT (0.46) KMT2AHSD17B10GAAMEN1SMN1; SMN2
SCHEMBL162981 0.72 ALDH1A1 (0.56) KMT2AHSD17B10GAAMEN1SMN1; SMN2
SCHEMBL28660959 0.71 KMT2A (0.44) KMT2AHSD17B10GAAMEN1SMN1; 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 KMT2A 2544/4885HSD17B10 3364/4885GAA 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.