SCHEMBL158296

SCHEMBL158296

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.39
HDAC8 Q9BY41 9/20 0.39
HDAC6 Q9UBN7 9/20 0.39
BAZ2B Q9UIF8 1/20 0.38
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
RAB9A P51151 2/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PLK1 P53350 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL749646 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL162739 0.79 CNR1 (0.40) HDAC1HDAC8HDAC6HPGDBRD4
SCHEMBL159589 0.79 ALDH1A1 (0.40) HDAC1HDAC8HDAC6CNR1
SCHEMBL161890 0.79 NPC1 (0.43) HDAC1HDAC8HDAC6HPGDRAB9A
SCHEMBL21423708 0.78 FBP1 (0.49) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL18236189 0.78 HDAC1 (0.45) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL749645 0.78 HDAC1 (0.38) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL4480406 0.78 HDAC1 (0.38) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL162560 0.77 NPC1 (0.46) HPGDRAB9ANPC1POLBGAA
SCHEMBL161081 0.76 DAGLA (0.43) HDAC1HDAC8HDAC6RAB9ANPC1

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 HDAC1 2568/4885HDAC8 2402/4885HDAC6 939/4885

“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.