SCHEMBL4483647

SCHEMBL4483647

CCOC(=O)c1[nH]cnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
AR P10275 4/20 0.53
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
XPO1 O14980 1/20 0.50
CDC25B P30305 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 5/20 0.47
PRKCZ Q05513 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA3 P0DMS8 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
SCHEMBL22256660 0.82 KDM4E (0.54) MEN1KMT2ARAB9AGAALMNA
SCHEMBL4802249 0.81 KDM4E (0.60) MEN1KMT2ARAB9AGAALMNA
SCHEMBL1925022 0.80 TDP1 (0.46) MEN1KMT2ARAB9AGAALMNA
SCHEMBL1924234 0.79 TSHR (0.47) MEN1KMT2AGAALMNAPOLB
SCHEMBL18040285 0.76 AR (0.54) MEN1KMT2AARRAB9AGAA
SCHEMBL16693014 0.76 AR (0.54) MEN1KMT2AARRAB9AGAA
SCHEMBL6465314 0.76 AR (0.71) MEN1KMT2AARRAB9AGAA
SCHEMBL4779958 0.75 AR (0.56) MEN1KMT2AARRAB9AGAA
SCHEMBL3151980 0.75 MAPT (0.49) MEN1KMT2ARAB9AGAALMNA
SCHEMBL27541726 0.74 MAPT (0.52) MEN1KMT2AARRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US 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-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof WEE1, WEE2, FARS2 MEN1 468/4885KMT2A 1844/4885AR 4328/4885

“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.