SCHEMBL164226

SCHEMBL164226

CC(C)CNC(=O)c1cccnc1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
PDE4A P27815 1/20 0.45
KCNH2 Q12809 1/20 0.45
P2RX7 Q99572 3/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.44
CNR2 P34972 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL164540 0.82 CHIA (0.56) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL24598451 0.81 GAA (0.66) POLBKMT2AGAASMN1; SMN2TP53
SCHEMBL162691 0.79 TSHR (0.51) POLBKMT2AGAAHSD17B10ALDH1A1
SCHEMBL165047 0.79 MAPK8 (0.48) ALDH1A1ADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL162468 0.78 KMT2A (0.45) POLBKMT2AGAAHSD17B10ALDH1A1
SCHEMBL15204566 0.77 MEN1 (0.60) POLBKMT2AHSD17B10ALDH1A1ADRA1A
SCHEMBL161560 0.77 HTT (0.66) KMT2AALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL162725 0.77 POLB (0.59) POLBKMT2AGAAHSD17B10ALDH1A1
SCHEMBL161745 0.76 GAA (0.48) POLBKMT2AGAAALDH1A1MEN1
SCHEMBL4260290 0.76 KMT2A (0.59) KMT2AGAAHSD17B10ALDH1A1MEN1

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 690/4885KMT2A 2544/4885GAA 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.