SCHEMBL6900443

SCHEMBL6900443

CCc1ccccc1NC(=S)Nc1ccc(Cl)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MIF P14174 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6908058 0.85 HTT (0.51) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL9453905 0.81 MAPT (0.79) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6958883 0.78 KMT2A (0.66) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6952759 0.76 NPSR1 (0.67) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6955653 0.74 MAPT (0.61) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6957744 0.74 ALDH1A1 (0.56) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL23264324 0.73 ALDH1A1 (0.68) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6955646 0.73 ALDH1A1 (0.68) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL7082828 0.73 GAA (0.55) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL5452442 0.73 MAPT (0.72) GAAMAPTALDH1A1KMT2AHTT

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 GAA 332/4885MAPT 1337/4885ALDH1A1 2484/4885

“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.