SCHEMBL6901413

SCHEMBL6901413

CCc1ccccc1NC(=O)Nc1ncc(Br)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
POLB P06746 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ESR2 Q92731 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
NPC1 O15118 1/20 0.48
KCNH2 Q12809 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL6901271 0.81 HTT (0.52) HTTMAPTKMT2AMEN1POLB
SCHEMBL6906198 0.79 KDM4E (0.64) HTTMAPTKMT2AMEN1POLB
SCHEMBL29580443 0.77 HTT (0.72) HTTMAPTKMT2AMEN1POLB
SCHEMBL9717979 0.77 HTT (0.72) HTTMAPTKMT2AMEN1POLB
SCHEMBL11028218 0.73 HTT (0.77) HTTMAPTKMT2AMEN1POLB
SCHEMBL6901408 0.72 NPC1 (0.51) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL11637557 0.71 MAPT (0.51) HTTMAPTKMT2AMEN1POLB
SCHEMBL6905305 0.69 GAA (0.56) HTTMAPTKMT2AMEN1POLB
SCHEMBL5853228 0.69 HTT (0.75) HTTMAPTKMT2AMEN1POLB
SCHEMBL16926299 0.68 NPC1 (0.56) HTTMAPTKMT2AMEN1POLB

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 5 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

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 HTT 1877/4885MAPT 1337/4885KMT2A 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.