Sugi Predict

Sugi Predict / Compounds / SCHEMBL17618088

SCHEMBL17618088

SCHEMBL17618088

COC(=O)c1ccc(CN(C(=O)N2CC[C@H](F)C2)c2cccc(C)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCR5 P51681 2/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL16211374 0.88 KDM4E (0.39) KDM4EUBE2MDCUN1D1ALDH1A1CCR5
SCHEMBL16211377 0.88 KDM4E (0.39) KDM4EUBE2MDCUN1D1ALDH1A1CCR5
SCHEMBL17618086 0.85 RAB9A (0.43) KDM4EALDH1A1GAARAB9ALOXL2
SCHEMBL17618087 0.84 KMT2A (0.39) KDM4EALDH1A1GAARAB9AMEN1
SCHEMBL17618085 0.83 ALDH1A1 (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL17618079 0.83 MEN1 (0.47) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL17618042 0.82 RAB9A (0.45) ALDH1A1RAB9ANR1H4MEN1KMT2A
SCHEMBL17618044 0.82 RAB9A (0.45) ALDH1A1RAB9ANR1H4MEN1KMT2A
SCHEMBL17618046 0.81 CHRM2 (0.42) KDM4EALDH1A1GAAHPGD
SCHEMBL17618047 0.81 CHRM2 (0.42) KDM4EALDH1A1GAAHPGD

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 KDM4E 161/4885UBE2M 681/4885DCUN1D1 2321/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 KDM4E 161/4885UBE2M 681/4885DCUN1D1 2321/4885

“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.