SCHEMBL17078837

SCHEMBL17078837

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)NCc3cccc(OC)c3)C[C@@H]2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ MMP13 P45452 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ THRB P10828 2/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GAA P10253 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
SCHEMBL20420901 0.91 PKM (0.52) PKMMMP13ALDH1A1HTTSMN1; SMN2
SCHEMBL17078735 0.90 HDAC1 (0.58) LMNAPKMMMP13ALDH1A1NAMPT
SCHEMBL17078707 0.88 DPP4 (0.48) LMNASMN1; SMN2NAMPTMAPTHDAC1
SCHEMBL17078692 0.88 CA1 (0.47) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL17078548 0.85 GRIN2B (0.56) LMNAALDH1A1HTTSMN1; SMN2GRIN2B
SCHEMBL17086804 0.81 HDAC1 (0.55) LMNAPKMMMP13ALDH1A1NAMPT
SCHEMBL17078543 0.79 GRIN2B (0.52) LMNASMN1; SMN2NAMPTGRIN2BMAPT
SCHEMBL20421186 0.78 DPP4 (0.50) MMP13ALDH1A1SMN1; SMN2NAMPTMAPT
SCHEMBL20420898 0.78 CACNA1G (0.48) SMN1; SMN2HDAC1POLB
SCHEMBL17078523 0.77 HDAC1 (0.57) SMN1; SMN2NAMPTMAPTHDAC1

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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 — — EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — 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 (2 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 LMNA 832/4885PKM 1448/4885MMP13 1188/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 LMNA 3727/4885PKM 1955/4885MMP13 834/4885

“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.

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