SCHEMBL6469131

SCHEMBL6469131

O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.65
MAPT P10636 9/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPK14 Q16539 6/20 0.60
MAPK13 O15264 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
GCGR P47871 4/20 0.60
ALOX5 P09917 2/20 0.60
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 2/20 0.58
HCRTR1 O43613 1/20 0.58
CYP2C9 P11712 1/20 0.58
RAB9A P51151 2/20 0.56

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
SCHEMBL2126513 0.90 MAPT (0.74) MMP13MAPTMEN1KMT2ACYP1A2
SCHEMBL2946263 0.88 MAPT (0.61) MMP13MAPTMEN1KMT2ACYP1A2
SCHEMBL2954980 0.84 ALOX5 (0.60) MMP13MAPTMEN1KMT2ACYP1A2
SCHEMBL6469515 0.84 ALOX5 (0.71) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6449323 0.82 MAPK14 (0.77) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6468507 0.82 ALOX5 (0.69) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6468972 0.81 MAPK13 (0.74) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL6470738 0.79 MAPK14 (0.53) MMP13MAPTMEN1KMT2ACYP1A2
SCHEMBL9514606 0.79 KMT2A (0.68) MAPTMEN1KMT2AMAPK14MAPK13
SCHEMBL2127659 0.79 KMT2A (0.68) MAPTMEN1KMT2AMAPK14MAPK13

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 WO claimed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-20200078387-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY 2020-03-12 US disclosed
WO-2018112342-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2018-06-21 WO disclosed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US disclosed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP disclosed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D MMP13 3464/4885MAPT 1480/4885MEN1 4673/4885

“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.