SCHEMBL6902503

SCHEMBL6902503

NC(=O)Nc1ncccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
AHR P35869 1/20 0.40
HTT P42858 2/20 0.39
IKBKB O14920 1/20 0.39
PPIA P62937 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL15104669 0.83 RAB9A (0.46) MAPTL3MBTL1EGFRERBB2ALDH1A1
SCHEMBL7158819 0.81 L3MBTL1 (0.64) MAPTL3MBTL1EGFRERBB2ALDH1A1
SCHEMBL374899 0.81 KMT2A (0.46) L3MBTL1EGFRERBB2KDM4EHSD17B10
SCHEMBL514543 0.79 HTT (0.50) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL4315844 0.79 MAPT (0.42) MAPTL3MBTL1EGFRERBB2ALDH1A1
SCHEMBL6907368 0.78 NR3C2 (0.36) L3MBTL1EGFRALDH1A1NPC1IKBKB
SCHEMBL7368441 0.78 L3MBTL1 (0.69) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL18489422 0.77 TGM2 (0.46) EGFRERBB2LMNA
SCHEMBL5044753 0.77 L3MBTL1 (0.47) L3MBTL1EGFRERBB2ALDH1A1KDM4E
SCHEMBL27742417 0.77 GAA (0.45) MAPTL3MBTL1EGFRERBB2ALDH1A1

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 MAPT 1337/4885L3MBTL1 1445/4885EGFR 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.