SCHEMBL501219

SCHEMBL501219

COc1cc(CO)cc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP1A2 P05177 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
LMNA P02545 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL2547333 0.86 ALDH1A1 (0.47) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL22108088 0.82 PTGS2 (0.41) KDM4EALDH1A1CYP1A2LOXLOXL2
SCHEMBL501367 0.79 ACHE (0.43) KDM4ECYP4F2CYP4A11LOXL2LMNA
SCHEMBL1620417 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL24434490 0.78 S1PR1 (0.33) KDM4EALDH1A1LOXLOXL2LMNA
SCHEMBL10264575 0.78 KMT2A (0.39) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL2541070 0.77 RECQL (0.41) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL29879916 0.77 RECQL (0.41) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL19330413 0.76 ALDH1A1 (0.39) MAPTKDM4EALDH1A1LOXLOXL2
SCHEMBL20063087 0.74 MAPT (0.35) MAPTKDM4EALDH1A1PDE4APDE4B

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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
CN-101495461-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2009-07-29 CN 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
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 MAPT 296/4885KDM4E 1269/4885ALDH1A1 2535/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H MAPT 293/4885KDM4E 1234/4885ALDH1A1 2541/4885

“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.