SCHEMBL19738682

SCHEMBL19738682

CCC(C)(CC)n1nc2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
SLC9A1 P19634 2/20 0.34
DDAH1 O94760 1/20 0.34
HTT P42858 2/20 0.33
MPO P05164 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SLC6A2 P23975 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TNNI3 P19429 1/20 0.31

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
SCHEMBL23346142 0.88 SLC9A1 (0.33) KDM4EHPGDSLC9A1HTTMPO
SCHEMBL22513528 0.83 KDM4E (0.34) KDM4EHPGDSLC9A1HTTMPO
SCHEMBL19738601 0.83 KDM4E (0.37) KDM4EHPGDSLC9A1HTTMPO
SCHEMBL28718737 0.82
SCHEMBL10233410 0.77 HPGD (0.42) KDM4EHPGDSLC9A1HTTATM
SCHEMBL25508949 0.76 LMNA (0.33) KDM4EHPGDSLC9A1HTTCYP2D6
SCHEMBL19738627 0.75 KDM4E (0.34) KDM4EHPGDSLC9A1HTTMPO
SCHEMBL27426760 0.73 KDM4E (0.39) KDM4EHPGDSLC9A1HTTMAPK1
SCHEMBL5701125 0.73 TSHR (0.37) KDM4EHPGDHTTMPOCYP1A2
SCHEMBL1938057 0.72 CYP1A2 (0.37) KDM4EHPGDHTTMPOCYP1A2

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-11217754-B2 Organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2022-01-04 US disclosed
US-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 US disclosed
US-20180212153-A1 ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-07-26 US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 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 (4 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-20180212153-A1 ORGANIC ELECTROLUMINESCENCE DEVICE TYR, SLC18A1, SLC18A3 KDM4E 1504/4885HPGD 1884/4885SLC9A1 599/4885
US-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 KDM4E 2499/4885HPGD 1026/4885SLC9A1 3361/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 KDM4E 2499/4885HPGD 1026/4885SLC9A1 3361/4885
US-11217754-B2 Organic electroluminescence device TYR, SLC18A1, SLC18A3 KDM4E 1504/4885HPGD 1884/4885SLC9A1 599/4885

“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.