SCHEMBL501633

SCHEMBL501633

Cc1cc(CCl)cc(N2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALPL P05186 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8607285 0.80 KMT2A (0.46) KMT2ARXFP1GRM5MEN1ALDH1A1
SCHEMBL501398 0.80 KMT2A (0.45) KMT2ARXFP1GRM5MEN1ALDH1A1
SCHEMBL8605347 0.78 KMT2A (0.44) KMT2ARXFP1GRM5MEN1ALDH1A1
SCHEMBL11072686 0.76 KMT2A (0.45) KMT2ARXFP1GRM5MEN1ALDH1A1
SCHEMBL501577 0.76 GAA (0.45) KMT2AGRM5MEN1ALDH1A1GAA
SCHEMBL8607339 0.75 SCN2A (0.48) KMT2ARXFP1GRM5MEN1ALDH1A1
SCHEMBL5026395 0.74 RECQL (0.62) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL29562157 0.74 RECQL (0.62) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL22028943 0.71 MEN1 (0.43) KMT2AGRM5MEN1ALDH1A1GAA
SCHEMBL31118684 0.71 MEN1 (0.43) KMT2AGRM5MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H KMT2A 1928/4885RXFP1 4501/4885GRM5 3810/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H KMT2A 1865/4885RXFP1 4506/4885GRM5 3760/4885

“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.