SCHEMBL1809488

SCHEMBL1809488

COCCn1ccc2cc(C(=O)OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC11 Q96DB2 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GLO1 Q04760 1/20 0.48
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 3/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL1809364 0.89 ALDH1A1 (0.62) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL1809906 0.87 HCAR3 (0.53) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL17746709 0.86 PLG (0.52) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL3349233 0.85 PLG (0.51) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL2324058 0.84 TUBB4A (0.62) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL13699049 0.84 KDM4E (0.55) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL845981 0.84 PLG (0.53) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL30527841 0.84 HTR2A (0.54) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL16741925 0.84 HTR2A (0.54) HDAC6HDAC8HDAC11ALDH1A1KDM4E
SCHEMBL3144113 0.83 KDM4E (0.51) HDAC6HDAC8HDAC11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HDAC6 180/4885HDAC8 413/4885HDAC11 217/4885

“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.