SCHEMBL642656

SCHEMBL642656

Cc1cc(I)cc(CBr)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL15574021 0.82 TRPA1 (0.36)
SCHEMBL2261460 0.82 PGK1 (0.42) PGK1PGK2
SCHEMBL502038 0.82 ALDH1A1 (0.40) TACR1PGK1PGK2
SCHEMBL4160774 0.79 ALDH1A1 (0.38) TACR1PGK1PGK2
SCHEMBL16959454 0.78 PTGS2 (0.33) TACR1PGK1PGK2
SCHEMBL21768252 0.76 TACR1 (0.31) TACR1PGK1PGK2
SCHEMBL30831854 0.76 TACR1 (0.31) TACR1PGK1PGK2
SCHEMBL8364823 0.76 TAAR1 (0.34) TACR1PGK1PGK2
SCHEMBL16957404 0.76 ACHE (0.39) TACR1PGK1PGK2
SCHEMBL26586433 0.76 TACR1 (0.31) TACR1PGK1PGK2

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-8119800-B2 Processes for preparing HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-02-21 US disclosed
WO-2009085797-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-07-09 WO disclosed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 US disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 TACR1 2100/4885PGK1 2122/4885PGK2 2004/4885
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2E, POLR2H TACR1 3179/4885PGK1 304/4885PGK2 468/4885

“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.