Sugi Predict

Sugi Predict / Compounds / SCHEMBL501335

SCHEMBL501335

SCHEMBL501335

COc1ccc(CNc2cc(Cn3c(Oc4cc(C)cc(C5OCCO5)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CLPP Q16740 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE9A O76083 2/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ TYMS P04818 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL501447 0.93 POLB (0.33) PDE1APDE1BPDE1CPOLBALDH1A1
SCHEMBL501639 0.91 POLB (0.38) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL501294 0.87 POLB (0.36) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL501395 0.85 GRIN1 (0.40) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL10264396 0.84 TLR7 (0.32) TLR7
SCHEMBL501579 0.83 POLB (0.35) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL501580 0.83 POLB (0.35) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL501116 0.81 TLR7 (0.35) HPGDKDM4EMAPTHTTTLR7
SCHEMBL501470 0.80 POLB (0.35) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL501674 0.78 GRIN1 (0.38) POLBMAPTGAALMNAPDE9A

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 6 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-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-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

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 PDE1A 4181/4885PDE1B 4149/4885PDE1C 4335/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H PDE1A 4180/4885PDE1B 4146/4885PDE1C 4339/4885

“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.