SCHEMBL165274

SCHEMBL165274

CCC(C)NC(=O)c1nccnc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
DYRK1A Q13627 1/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 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
SCHEMBL163224 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL23134056 0.82 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1PKM
SCHEMBL15204566 0.76 MEN1 (0.60) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL15204761 0.75 KMT2A (0.41) KMT2AHTTL3MBTL1
SCHEMBL161702 0.75 KMT2A (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9217175 0.73 MEN1 (0.52) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL162453 0.72 POLB (0.43) MEN1KMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL164943 0.72 YTHDC1 (0.37) KMT2AL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL5583688 0.72 MAPK1 (0.50) MEN1KMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL162819 0.70 KDM4E (0.50) HTTL3MBTL1SMN1; SMN2RAB9ATP53

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 MEN1 4776/4885KMT2A 2544/4885HTT 72/4885

“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.