Sugi Predict

Sugi Predict / Compounds / SCHEMBL17618071

SCHEMBL17618071

SCHEMBL17618071

COC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HPGD P15428 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ FKBP1A P62942 2/20 0.50
▸ HTT P42858 1/20 0.48
▸ MLYCD O95822 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL17618030 0.90 ALDH1A1 (0.52) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16211470 0.90 MLYCD (0.51) KMT2AMEN1HPGDALDH1A1ALOX15
SCHEMBL17623818 0.89 ALDH1A1 (0.51) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL20236729 0.89 ALDH1A1 (0.51) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16211608 0.89 ALDH1A1 (0.54) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16211283 0.89 ALDH1A1 (0.53) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL20236541 0.88 CA1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16211437 0.88 L3MBTL1 (0.50) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16211352 0.87 ALOX15 (0.49) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL22218517 0.87 ALDH1A1 (0.49) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1

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-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 — — US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 — — US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 — — 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 (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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 KMT2A 86/4885MEN1 3934/4885HPGD 888/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 KMT2A 86/4885MEN1 3934/4885HPGD 888/4885

“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.