SCHEMBL6907368

SCHEMBL6907368

NC(=O)Nc1nccc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.36
IKBKB O14920 1/20 0.36
EGFR P00533 1/20 0.35
KIF11 P52732 1/20 0.35
PEPD P12955 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL6902503 0.78 MAPT (0.42) IKBKBEGFRNPC1ALDH1A1L3MBTL1
SCHEMBL2787917 0.68 PEPD (0.39) NR3C2IKBKBKIF11PEPDNPC1
SCHEMBL514543 0.68 HTT (0.50) IKBKBNPC1ALDH1A1L3MBTL1
SCHEMBL2361181 0.68 KDM4E (0.56) NR3C2IKBKBNPC1ALDH1A1
SCHEMBL27823770 0.67 KIF11 (0.53) IKBKBKIF11PEPDNPC1ALDH1A1
SCHEMBL31078765 0.67 AR (0.52) NR3C2EGFRPEPDNPC1ALDH1A1
SCHEMBL7368441 0.67 L3MBTL1 (0.69) NPC1ALDH1A1L3MBTL1
SCHEMBL5031603 0.66 NR3C2 (0.44) NR3C2KIF11PEPDALDH1A1
SCHEMBL17610582 0.66 LMNA (0.40) EGFRALDH1A1L3MBTL1
SCHEMBL8431817 0.65 GAA (0.53) EGFRKIF11NPC1ALDH1A1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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 (1 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E NR3C2 3476/4885IKBKB 866/4885EGFR 4532/4885

“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.