SCHEMBL6907376

SCHEMBL6907376

CC(=O)c1ccc([N+](=O)[O-])nc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
USP7 Q93009 1/20 0.33
NPBWR1 P48145 1/20 0.33
PKM P14618 1/20 0.32
DYRK1A Q13627 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL27711672 0.83 HSP90AB1 (0.38) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL12588533 0.74 ALDH1A1 (0.42) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL1002218 0.74 ERN1 (0.38) MAPK1CA12CA9KDM4EGAA
SCHEMBL25437070 0.71 SMN1; SMN2 (0.38) MAPK1CA12CA9MAPTALDH1A1
SCHEMBL6900468 0.71 GABRP (0.48) MAPK1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL30508935 0.71 SMN1; SMN2 (0.38) MAPK1CA12CA9MAPTALDH1A1
SCHEMBL4718588 0.70 MAPT (0.45) MAPK1KDM4EGAAMAPTALDH1A1
SCHEMBL27831978 0.70 GABRP (0.53) KDM4EMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2031745 0.70 MEN1 (0.46) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL11623477 0.69 NNMT (0.51) KDM4EGAAMAPTALDH1A1LMNA

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 MAPK1 3678/4885CA12 3655/4885CA9 2400/4885

“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.