SCHEMBL630835

SCHEMBL630835

NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1N

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 3/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KCNMA1 Q12791 1/20 0.40
VCAM1 P19320 1/20 0.40
BCL2L1 Q07817 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
TTR P02766 1/20 0.40
PARP1 P09874 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL505380 0.86 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4TTR
SCHEMBL6121980 0.84 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL31374314 0.83 TTR (0.50) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL7369209 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL14775885 0.83 TTR (0.50) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL2912091 0.81 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL505205 0.81 TDP1 (0.47) ALDH1A1LMNAKMT2AMAPTFLT1
SCHEMBL3686974 0.81 ALDH1A1 (1.00) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL29711645 0.81 ALDH1A1 (1.00) ALDH1A1LMNAKMT2ACYP3A4MAPT
SCHEMBL2370377 0.79 ALDH1A1 (0.68) ALDH1A1LMNAKMT2ACYP3A4MAPT

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 45 patents — showing the first 20. 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
EP-2542533-B1 FLUORALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THEIR USE FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER IP GMBH (DE) 2014-09-10 EP 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
CN-101511821-B Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LAB 2013-07-17 CN disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2561759-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles and their effect on plant growth Bayer Cropscience AG (DE) 2013-02-27 EP disclosed
EP-2542533-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS Bayer Intellectual Property GmbH (DE) 2013-01-09 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
US-8217070-B2 2-substituted-1H-benzimidazole-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 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-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 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-2006110683-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 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 (6 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 323/4885LMNA 460/4885KMT2A 589/4885
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors PARP1, PARP2, PARP4 ALDH1A1 233/4885LMNA 219/4885KMT2A 458/4885
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 239/4885LMNA 283/4885KMT2A 973/4885
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 193/4885LMNA 320/4885KMT2A 489/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 ALDH1A1 332/4885LMNA 238/4885KMT2A 595/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 199/4885LMNA 331/4885KMT2A 490/4885

“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.