SCHEMBL6905079

SCHEMBL6905079

N#Cc1ccc(NC(=O)NC2CC2c2c(F)cccc2Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
TMPRSS4 Q9NRS4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 2/20 0.38
IDO1 P14902 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
GPR65 Q8IYL9 1/20 0.37
USP30 Q70CQ3 1/20 0.37
DYRK3 O43781 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
FGFR4 P22455 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL6905076 1.00 HCRTR1 (0.43) HCRTR1TMPRSS4MEN1KMT2ASMN1; SMN2
SCHEMBL6905845 0.93 HCRTR1 (0.46) HCRTR1TMPRSS4MEN1KMT2ABACE1
SCHEMBL6907303 0.87 SMN1; SMN2 (0.53) HCRTR1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6907299 0.87 SMN1; SMN2 (0.53) HCRTR1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6906200 0.81 SMN1; SMN2 (0.56) HCRTR1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6904081 0.81 HCRTR1 (0.42) HCRTR1TMPRSS4MEN1KMT2ABACE1
SCHEMBL3727512 0.79 TMPRSS4 (0.39) HCRTR1TMPRSS4MEN1KMT2ABACE1
SCHEMBL3732549 0.79 TMPRSS4 (0.39) HCRTR1TMPRSS4MEN1KMT2ABACE1
SCHEMBL6112389 0.79 TMPRSS4 (0.39) HCRTR1TMPRSS4MEN1KMT2ABACE1
SCHEMBL30042804 0.79 TMPRSS4 (0.39) HCRTR1TMPRSS4MEN1KMT2ABACE1

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 HCRTR1 3146/4885TMPRSS4 184/4885MEN1 4674/4885

“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.