SCHEMBL1484485

SCHEMBL1484485

CCn1c(C(=O)c2cc(C#N)cc(C)c2Cl)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
EZH2 Q15910 3/20 0.34
EZH1 Q92800 1/20 0.33
RORC P51449 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FASN P49327 2/20 0.31
GPR35 Q9HC97 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGA4 P13612 1/20 0.31
LMNA P02545 1/20 0.30
USP1 O94782 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL12752381 0.82 KDM4E (0.33) KDM4EALDH1A1HPGDL3MBTL1FASN
SCHEMBL642371 0.81 KDM4E (0.36) KDM4EALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL1484664 0.78 EZH2 (0.34) KDM4EALDH1A1HPGDEZH2EZH1
SCHEMBL13955842 0.76 KDM4E (0.33) KDM4EALDH1A1HPGDRORCUSP1
SCHEMBL12752375 0.74 MEN1 (0.36) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL12752403 0.73 KMT2A (0.41) KDM4EALDH1A1HPGDKMT2A
SCHEMBL12752464 0.73 PGR (0.36) KDM4EALDH1A1HPGDPKMKMT2A
SCHEMBL12752165 0.72 KMT2A (0.35) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL12752174 0.72 KMT2A (0.40) KDM4EALDH1A1LMNAKMT2A
SCHEMBL1484494 0.72 KDM4E (0.37) KDM4EALDH1A1HPGDPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KDM4E 790/4885ALDH1A1 1800/4885HPGD 2033/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KDM4E 790/4885ALDH1A1 1800/4885HPGD 2033/4885

“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.