SCHEMBL163054

SCHEMBL163054

CCC(C)NC(=O)c1cc([O])[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.44
HCAR3 P49019 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
STAT1 P42224 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DYRK1A Q13627 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
MMP1 P03956 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
SCHEMBL164014 0.83 ADORA3 (0.45) HTTRAB9AHCAR3SMN1; SMN2MAPK1
SCHEMBL162816 0.77 HDAC3 (0.43) HCAR3MAPK1ALDH1A1CYP2C9HCAR2
SCHEMBL160431 0.76 RAB9A (0.48) KMT2AHTTRAB9ASMN1; SMN2NPC1
SCHEMBL164683 0.74 BAZ2B (0.42) RAB9AHCAR3MAPK1NPC1TP53
SCHEMBL162591 0.74 HDAC3 (0.48) L3MBTL1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL163376 0.73 JAK2 (0.44) KMT2AMEN1HTTL3MBTL1RAB9A
SCHEMBL164699 0.73 RAB9A (0.58) KMT2AMEN1RAB9ASMN1; SMN2MAPK1
SCHEMBL5768524 0.73 KMT2A (0.48) KMT2AMEN1HTTL3MBTL1RAB9A
SCHEMBL162312 0.72 HDAC3 (0.52) KMT2AHTTRAB9AHCAR3SMN1; SMN2
SCHEMBL164373 0.72 GABRA1 (0.45) KMT2AL3MBTL1HCAR3MAPK1HSD17B10

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 KMT2A 2544/4885MEN1 4776/4885HTT 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.