SCHEMBL164004

SCHEMBL164004

CCC(C)NC(=O)c1cc([O])sn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 2/20 0.46
STAT1 P42224 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL160439 0.83 NPC1 (0.43) RAB9ASMN1; SMN2TP53NPC1MAPK1
SCHEMBL162313 0.76 RAB9A (0.48) RAB9ASMN1; SMN2TP53NPC1HSD17B10
SCHEMBL159526 0.74 BAZ2B (0.42) RAB9ATP53NPC1HSD17B10PKM
SCHEMBL162421 0.74 TP53 (0.47) RAB9ASMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL164699 0.73 RAB9A (0.58) RAB9ASMN1; SMN2TP53NPC1MAPK1
SCHEMBL164560 0.73 GABRA1 (0.43) SMN1; SMN2HSD17B10KMT2AMEN1ALDH1A1
SCHEMBL163054 0.72 KMT2A (0.47) RAB9ASMN1; SMN2TP53NPC1MAPK1
SCHEMBL164841 0.72 RAB9A (0.44) RAB9ASMN1; SMN2TP53NPC1MAPK1
SCHEMBL163268 0.72 RAB9A (0.48) RAB9ASMN1; SMN2TP53NPC1KMT2A
SCHEMBL164646 0.71 ANO1 (0.51) RAB9ASMN1; SMN2TP53NPC1MAPK1

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 3460/4885SMN1; SMN2 1/4885TP53 2226/4885

“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.