SCHEMBL163561

SCHEMBL163561

CC(C)CNC(=O)c1conc1[O]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
MAOB P27338 1/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.39
MLYCD O95822 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
SCHEMBL163200 0.81 L3MBTL1 (0.39) HPGDKMT2AHSD17B10GAALMNA
SCHEMBL163314 0.76 KMT2A (0.50) RAB9AKMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL163649 0.73 HTT (0.46) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL162587 0.71 TP53 (0.44) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL162506 0.71 ALDH1A1 (0.53) RAB9AKMT2AHSD17B10GAASMN1; SMN2
SCHEMBL164226 0.70 POLB (0.50) HPGDKMT2AHSD17B10GAASMN1; SMN2
SCHEMBL162468 0.70 KMT2A (0.45) HPGDKMT2AHSD17B10GAASMN1; SMN2
SCHEMBL17883351 0.69 RAB9A (0.55) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL158846 0.69 GAA (0.54) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL159824 0.69 RAB9A (0.64) RAB9AHPGDKMT2AHSD17B10GAA

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 RAB9A 3460/4885HPGD 2718/4885KMT2A 2544/4885

“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.