SCHEMBL162734

SCHEMBL162734

CCC(C)NC(=O)c1cc([O])cnn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
STAT1 P42224 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL162790 0.84 NPC1 (0.39) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL162165 0.78 CNR1 (0.39) RAB9ASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL163840 0.77 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL164646 0.76 ANO1 (0.51) RAB9ASMN1; SMN2MAPK1NPC1TP53
SCHEMBL164703 0.75 BAZ2B (0.41) RAB9ANPC1TP53HSD17B10PKM
SCHEMBL163643 0.75 POLB (0.43) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL163851 0.72 ALOX15 (0.39) SMN1; SMN2HSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL164699 0.72 RAB9A (0.58) RAB9ASMN1; SMN2MAPK1NPC1TP53
SCHEMBL165757 0.71 CNR2 (0.37) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL162922 0.71 KMT2A (0.43) RAB9ASMN1; SMN2MAPK1NPC1TP53

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 1/4885MAPK1 2988/4885

“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.