SCHEMBL166279

SCHEMBL166279

CCC(C)NC(=O)c1c[nH]nc1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 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
SCHEMBL163544 0.85 ALDH1A1 (0.41) ALDH1A1HTTJAK2JAK1JAK3
SCHEMBL162587 0.76 TP53 (0.44) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL162197 0.74 PLK1 (0.39) HTTSMN1; SMN2ADRA1ATSHR
SCHEMBL161102 0.74 POLB (0.43) KMT2AALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL161715 0.73 L3MBTL1 (0.41) ALDH1A1L3MBTL1KDM4EMAPTADRA1A
SCHEMBL162023 0.72 TSHR (0.54) ALDH1A1HTTL3MBTL1SMN1; SMN2TSHR
SCHEMBL161414 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL163314 0.72 KMT2A (0.50) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL15204566 0.71 MEN1 (0.60) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL161246 0.71 MEN1 (0.53) MEN1KMT2AALDH1A1HTTL3MBTL1

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 2544/4885ALDH1A1 1667/4885

“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.