Sugi Predict

Sugi Predict / Compounds / SCHEMBL501586

SCHEMBL501586

SCHEMBL501586

CC(C)c1c(Cl)nc(OCc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PIN1 Q13526 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DAPK1 P53355 1/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ GLRA1 P23415 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL501385 0.85 MAOB (0.42) ALDH1A1LMNAGAACNR1CNR2
SCHEMBL501547 0.78 PIN1 (0.46) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL501598 0.77 PIN1 (0.45) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL7757602 0.77 ALDH1A1 (0.42) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL20564303 0.72 MAOB (0.43) ALDH1A1LMNAHTTCNR1CNR2
SCHEMBL20839669 0.72 PIN1 (0.62) LMNAPIN1L3MBTL1CNR1ACHE
SCHEMBL11009131 0.72 TSHR (0.52) LMNATSHRMAPK1HTTPIN1
SCHEMBL578063 0.71 PIN1 (0.49) ALDH1A1LMNATSHRMAPK1PIN1
SCHEMBL1639465 0.71 PIN1 (0.49) ALDH1A1LMNATSHRMAPK1PIN1
SCHEMBL1012732 0.71 PIN1 (0.50) ALDH1A1TSHRHTTPIN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167476-B1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RES INST CHEM TECH (KR) 2015-02-25 — — EP disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 — — US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 — — US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 — — 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-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-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 — — US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 — — EP 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-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 — — US disclosed
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 — — US disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
WO-2009005693-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO 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 (5 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 HPGD 2033/4885ALDH1A1 1800/4885LMNA 2948/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H HPGD 2033/4885ALDH1A1 1800/4885LMNA 2948/4885
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H HPGD 2279/4885ALDH1A1 2535/4885LMNA 3167/4885
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H HPGD 2033/4885ALDH1A1 1800/4885LMNA 2948/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H HPGD 2271/4885ALDH1A1 2541/4885LMNA 3150/4885

“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.