SCHEMBL540955

SCHEMBL540955

CC(=O)Nc1ccc([N])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 7/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
BRD4 O60885 1/20 0.64
NR1I2 O75469 1/20 0.64
MB P02144 1/20 0.64
CYP1A1 P04798 1/20 0.64
CA3 P07451 1/20 0.64
CYP3A4 P08684 1/20 0.64
RARG P13631 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL861674 0.87 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL3818831 0.80 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL11158565 0.80 MAPT (0.83) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
Acetaminophen SCHEMBL8937727 0.78 KMT2A (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL61417 0.78 TDP1 (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL517820 0.78 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
Acetaminophen SCHEMBL3480 0.78 KMT2A (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL4899667 0.78 TDP1 (0.74) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL1488126 0.78 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
Acetaminophen SCHEMBL252939 0.78 KMT2A (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1

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-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
CN-101490014-B A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2011-12-14 CN disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
CN-101490014-A A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS (FR) 2009-07-22 CN disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 SMN1; SMN2 3717/4885L3MBTL1 1236/4885HTT 2283/4885

“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.