SCHEMBL161341

SCHEMBL161341

CCCCNC(=O)c1csc([O])n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
HIF1A Q16665 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL162465 0.90 GAA (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL163960 0.83 HIF1A (0.42) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL27965990 0.80 SMN1; SMN2 (0.44) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL159632 0.79 RAB9A (0.47) HTTSMN1; SMN2RAB9AHIF1ANPC1
SCHEMBL13447429 0.77 HDAC3 (0.44) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL27965799 0.76 HDAC1 (0.65) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL27965984 0.76 RAB9A (0.66) KDM4EHTTSMN1; SMN2RAB9ANPC1
SCHEMBL27965978 0.76 RAB9A (0.61) HDAC3HDAC1HDAC6HDAC8HTT
SCHEMBL162785 0.75 HTT (0.46) HDAC3HDAC1KDM4EHTTTSHR
SCHEMBL14206509 0.75 HDAC3 (0.45) HDAC3HDAC1HDAC6HDAC2HDAC8

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 HDAC3 1776/4885HDAC1 2568/4885HDAC6 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.