SCHEMBL4967805

SCHEMBL4967805

Fc1cc(C2=NCCCC2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.57
CHRNA3 P32297 12/20 0.57
CHRNA7 P36544 2/20 0.45
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
PARP1 P09874 1/20 0.34
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
KDM1B Q8NB78 1/20 0.33

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
SCHEMBL206365 0.95 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL22097298 0.81 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL16098695 0.78 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL19253727 0.77 CHRNB4 (0.63) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL12021901 0.76 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL29399603 0.75 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL8151174 0.74 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL30989312 0.72 CHRNB4 (1.00) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL2045328 0.72 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL29396657 0.71 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-8697736-B2 1H-benzimidazole-4-carboxamides substituted with phenyl at the 2-position are potent PARP inhibitors ABBVIE INC. (US) 2014-04-15 US disclosed
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO disclosed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP disclosed
EP-1957477-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-08-20 EP disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US disclosed
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 WO disclosed
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 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-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 CHRNB4 4793/4885CHRNA3 4556/4885CHRNA7 4652/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 CHRNB4 4798/4885CHRNA3 4580/4885CHRNA7 4656/4885

“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.