SCHEMBL10244836

SCHEMBL10244836

CCCCNC(=O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NAAA Q02083 1/20 0.45
HSPA9 P38646 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLA2G4A P47712 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4550250 0.84 SMN1; SMN2 (0.49) HDAC3HDAC1ALDH1A1SMN1; SMN2CASP3
SCHEMBL27284568 0.83 HDAC3 (0.48) HDAC3HDAC1ALDH1A1HSPA9HDAC6
SCHEMBL19691137 0.83 ALDH1A1 (0.55) HDAC3HDAC1ALDH1A1SMN1; SMN2CASP3
SCHEMBL3477000 0.83 ALDH1A1 (0.47) HDAC3HDAC1ALDH1A1SMN1; SMN2CASP3
SCHEMBL9331076 0.81 ALDH1A1 (0.48) HDAC3HDAC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL22170880 0.81 HDAC3 (0.61) HDAC3HDAC1ALDH1A1HSPA9L3MBTL1
SCHEMBL2631740 0.81 HDAC1 (0.58) HDAC3HDAC1ALDH1A1SMN1; SMN2HTT
SCHEMBL30968179 0.81 ALDH1A1 (0.49) HDAC3HDAC1ALDH1A1SMN1; SMN2HTT
SCHEMBL2631739 0.80 HDAC1 (0.60) HDAC3HDAC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3504687 0.80 HDAC3 (0.53) HDAC3HDAC1ALDH1A1SMN1; SMN2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 HDAC3 78/4885HDAC1 34/4885ALDH1A1 1939/4885

“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.