SCHEMBL164699

SCHEMBL164699

CCC(C)NC(=O)c1cc([O])on1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 2/20 0.56
STAT1 P42224 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL163272 0.83 NPC1 (0.55) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL161857 0.76 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL159824 0.75 RAB9A (0.64) RAB9ASMN1; SMN2NPC1MAPK1HSD17B10
SCHEMBL4283404 0.74 RAB9A (0.77) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL163857 0.73 TP53 (0.58) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL162398 0.73 MAPT (0.43) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL163054 0.73 KMT2A (0.47) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL164004 0.73 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL15204281 0.73 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL11719706 0.73 MAPT (0.56) RAB9ASMN1; SMN2NPC1TP53MAPK1

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 1/4885NPC1 1201/4885

“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.