SCHEMBL164646

SCHEMBL164646

CCC(C)NC(=O)c1cc([O])ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.51
KDM4C Q9H3R0 1/20 0.47
RAB9A P51151 5/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
STAT1 P42224 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 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
SCHEMBL161556 0.84 KDM4C (0.51) ANO1KDM4CRAB9ASMN1; SMN2NPC1
SCHEMBL165605 0.79 KMT2A (0.45) ANO1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30044824 0.78 KDM4E (0.56) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL162598 0.78 RAB9A (0.50) KDM4CRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL162424 0.78 PARP1 (0.45) RAB9ANPC1POLBHTTL3MBTL1
SCHEMBL163711 0.77 KDR (0.48) KDM4CRAB9ANPC1TP53HSD17B10
SCHEMBL162734 0.76 RAB9A (0.43) ANO1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL162061 0.75 NPC1 (0.48) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL24568354 0.73 ALDH1A1 (0.50) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL163971 0.73 KDM4E (0.54) RAB9AKMT2AMEN1SMN1; SMN2NPC1

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 ANO1 2970/4885KDM4C 2245/4885RAB9A 3460/4885

“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.