SCHEMBL6904081

SCHEMBL6904081

N#Cc1ccc(NC(=S)N[C@@H]2C[C@@H]2c2c(F)cccc2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 2/20 0.37
GPR65 Q8IYL9 1/20 0.36
USP30 Q70CQ3 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
HCRTR2 O43614 2/20 0.35
EPHX2 P34913 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
BRD4 O60885 2/20 0.34
BACE1 P56817 2/20 0.34
FGFR4 P22455 1/20 0.34

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
SCHEMBL6905845 0.87 HCRTR1 (0.46) HCRTR1MEN1KMT2AIDO1GPR65
SCHEMBL6905283 0.83 RAB9A (0.46) HCRTR1MEN1KMT2AHCRTR2BRD4
SCHEMBL6905601 0.83 ALDH1A1 (0.48) HCRTR1MEN1KMT2AHCRTR2
SCHEMBL6905605 0.83 ALDH1A1 (0.48) HCRTR1MEN1KMT2AHCRTR2
SCHEMBL6905079 0.81 HCRTR1 (0.43) HCRTR1MEN1KMT2AIDO1GPR65
SCHEMBL6905076 0.81 HCRTR1 (0.43) HCRTR1MEN1KMT2AIDO1GPR65
SCHEMBL21067948 0.74 HCRTR1 (0.40) HCRTR1MEN1KMT2AUSP30HCRTR2
SCHEMBL1821517 0.72 BACE1 (0.36) MEN1KMT2AIDO1GPR65USP30
SCHEMBL14123637 0.72 BACE1 (0.36) MEN1KMT2AIDO1GPR65USP30
SCHEMBL14123658 0.72 BACE1 (0.36) MEN1KMT2AIDO1GPR65USP30

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 4 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-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

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 3146/4885MEN1 4674/4885KMT2A 2276/4885

“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.