SCHEMBL3977028

SCHEMBL3977028

CC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HTT P42858 3/20 0.62
RECQL P46063 1/20 0.57
ALDH1A1 P00352 4/20 0.55
AR P10275 2/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL1464967 0.88 AR (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1496732 0.87 LMNA (0.63) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14211019 0.84 MAPT (0.65) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL584346 0.83 ALDH1A1 (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2011026 0.83 AR (0.66) LMNASMN1; SMN2HTTALDH1A1AR
SCHEMBL2979815 0.82 MAPT (0.52) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29537831 0.82 LMNA (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15562567 0.82 LMNA (0.64) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1885546 0.82 LMNA (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2853073 0.81 LMNA (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2

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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US disclosed
EP-1636214-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108712-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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 (2 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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 LMNA 2326/4885MEN1 2990/4885KMT2A 1671/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 LMNA 2500/4885MEN1 3014/4885KMT2A 1723/4885

“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.