SCHEMBL162560

SCHEMBL162560

CCCNC(=O)c1coc([O])n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.40
TBXA2R P21731 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL163520 0.90 HTT (0.46) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL162739 0.86 CNR1 (0.40) NPC1RAB9AGAAHPGDKDM4E
SCHEMBL2304408 0.83 POLB (0.47) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL3436851 0.80 RAB9A (0.43) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL20462599 0.80 NPC1 (0.43) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL161551 0.79 RAB9A (0.48) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL158296 0.77 HDAC1 (0.39) NPC1RAB9AGAAHPGDPOLB
SCHEMBL3436645 0.76 HDAC1 (0.65) GAAALDH1A1HPGDTBXA2RKDM4E
SCHEMBL3436653 0.75 HDAC1 (0.50) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL3436660 0.75 HDAC1 (0.44) NPC1RAB9ATP53SMN1; SMN2GAA

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 NPC1 1201/4885RAB9A 3460/4885TP53 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.