SCHEMBL501799

SCHEMBL501799

O=C(Cc1c(Cl)c(F)nc(F)c1Cl)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CASP1 P29466 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAU P00749 3/20 0.41
ENPP2 Q13822 1/20 0.41
PAM P19021 1/20 0.41

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
SCHEMBL3930877 0.96 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CASP1POLB
SCHEMBL501448 0.93 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CASP1POLB
SCHEMBL11852691 0.77 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1CASP1KMT2A
SCHEMBL502353 0.77 ELANE (0.52) ALDH1A1MAPK1L3MBTL1POLBKMT2A
SCHEMBL24464462 0.76 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1POLBKMT2A
SCHEMBL16366728 0.75 ALDH1A1 (0.62) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL10204657 0.74 ELANE (0.49) ALDH1A1MAPK1L3MBTL1POLBKMT2A
SCHEMBL361779 0.74 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1CASP1KMT2A
SCHEMBL501408 0.74 TDP1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL6784181 0.72 ALDH1A1 (0.96) ALDH1A1MAPK1L3MBTL1CASP1KMT2A

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 8 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
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
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 ALDH1A1 2535/4885MAPK1 1939/4885L3MBTL1 3360/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H ALDH1A1 2541/4885MAPK1 1963/4885L3MBTL1 3369/4885

“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.