SCHEMBL163376

SCHEMBL163376

CCC(C)NC(=O)c1c[nH]c([O])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
STAT1 P42224 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL165207 0.85 NPC1 (0.40) JAK2JAK1JAK3SMN1; SMN2RAB9A
SCHEMBL165610 0.78 CNR1 (0.40) KMT2AMEN1L3MBTL1NPC1HSD17B10
SCHEMBL163549 0.77 RAB9A (0.44) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL161197 0.76 JAK2 (0.43) JAK2JAK1JAK3KMT2AMEN1
SCHEMBL162365 0.75 CREBBP (0.39) KMT2APKMRAB9AALDH1A1NPC1
SCHEMBL160288 0.75 NPC1 (0.43) JAK2JAK3KMT2ASMN1; SMN2PKM
SCHEMBL18157898 0.75 MEN1 (0.56) KMT2AMEN1SMN1; SMN2PKMRAB9A
SCHEMBL3005067 0.74 KMT2A (0.44) JAK2JAK1JAK3KMT2AMEN1
SCHEMBL162922 0.73 KMT2A (0.43) JAK2JAK1JAK3KMT2AMEN1
SCHEMBL160350 0.73 HTT (0.46) KMT2ASMN1; SMN2RAB9AHTTL3MBTL1

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 JAK2 2042/4885JAK1 849/4885JAK3 630/4885

“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.