SCHEMBL14749038

SCHEMBL14749038

CC(C)CC(=O)N1CCC(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PTPN1 P18031 1/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ SLC9A1 P19634 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL14752079 0.84 EPHX2 (0.45) KMT2ASLC9A1BCHEEPHX2
SCHEMBL12193639 0.78 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL389894 0.77 KDM4E (0.56) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL23865988 0.76 NOS2 (0.60) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL21987051 0.75 ALDH1A1 (0.40) KDM4ECYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL20744332 0.75 — —
SCHEMBL18711444 0.75 CPT2 (0.49) KDM4ECYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL23865987 0.75 CYP3A4 (0.51) CYP2C9CYP2C19ALDH1A1BCHE
SCHEMBL10291725 0.74 POLB (0.62) KDM4ECYP2C9CYP2C19PTPN1ALDH1A1
SCHEMBL14434315 0.74 POLB (0.59) KDM4ECYP2C9CYP2C19PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 — — US disclosed
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 — — 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-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885CYP2C9 4785/4885CYP2C19 4831/4885
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885CYP2C9 2019/4885CYP2C19 2339/4885

“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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