SCHEMBL501885

SCHEMBL501885

Fc1cc(CBr)cc(F)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9971004 0.72 PTGS2 (0.36) TRPA1LOXL2LMNAGAAL3MBTL1
SCHEMBL22972375 0.72 LOXL2 (0.54) LOXL2
SCHEMBL501367 0.72 ACHE (0.43) TSHRLOXL2LMNAGAAL3MBTL1
SCHEMBL331501 0.71 TRPA1 (0.47) TRPA1ALDH1A1TSHR
SCHEMBL5487052 0.71 IDO1 (0.46) TRPA1ALDH1A1TSHR
SCHEMBL120092 0.71 IDO1 (0.46) TRPA1ALDH1A1TSHR
SCHEMBL5733912 0.71 IDO1 (0.46) TRPA1ALDH1A1TSHR
SCHEMBL501592 0.70
SCHEMBL29893902 0.70
SCHEMBL12553823 0.70

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 TRPA1 4866/4885ALDH1A1 2535/4885TSHR 4747/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H TRPA1 4865/4885ALDH1A1 2541/4885TSHR 4756/4885

“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.