SCHEMBL13699544

SCHEMBL13699544

COC(=O)Nc1ccc(F)c(N=O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
FAAH O00519 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13699547 0.83 MEN1 (0.48) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL3931721 0.81 HPGD (0.57) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL13890768 0.79 L3MBTL1 (0.55) MAPTRAB9ANPC1HTTMEN1
SCHEMBL2310611 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL3930649 0.77 MAPT (0.66) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL11956747 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL22279637 0.75 TNIK (0.52) SMN1; SMN2MAPTHPGDMEN1KMT2A
SCHEMBL3936393 0.75 KMT2A (0.58) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL3931647 0.73 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL17813317 0.73 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHPGDRAB9ANPC1

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
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 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-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 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 (4 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-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R SMN1; SMN2 529/4885MAPT 2921/4885HPGD 501/4885
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 SMN1; SMN2 1517/4885MAPT 3719/4885HPGD 1859/4885
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 SMN1; SMN2 1204/4885MAPT 3678/4885HPGD 1510/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 SMN1; SMN2 1400/4885MAPT 3764/4885HPGD 1268/4885

“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.