SCHEMBL630728

SCHEMBL630728

C[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL205894 1.00 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL317040 1.00 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL630719 0.96 MEN1 (0.46) MEN1KMT2ANPSR1
SCHEMBL630773 0.92 MEN1 (0.49) MEN1KMT2ANPSR1
SCHEMBL7245273 0.92 MEN1 (0.49) MEN1KMT2ANPSR1
SCHEMBL205419 0.90 ALDH1A1 (0.45)
SCHEMBL205549 0.88
SCHEMBL10039818 0.88
SCHEMBL30578076 0.88
SCHEMBL8217889 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172514-A1 Processes for the Preparation of Veliparib and Intermediates Thereof APOTEX INC. (CA) 2020-06-04 US disclosed
US-10556887-B2 Processes for the preparation of Veliparib and intermediates thereof APOTEX INC. (CA) 2020-02-11 US disclosed
US-20190119257-A1 Processes for the Preparation of Veliparib and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2019-04-25 US disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 US 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-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
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2012019430-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
EP-1869011-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-26 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10556887-B2 Processes for the preparation of Veliparib and intermediates thereof PARP1, PARP3, PARP11 MEN1 504/4885KMT2A 1612/4885NPSR1 3172/4885
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 MEN1 2568/4885KMT2A 1983/4885NPSR1 4449/4885
US-20200172514-A1 Processes for the Preparation of Veliparib and Intermediates Thereof PARP1, PARP3, PARP11 MEN1 504/4885KMT2A 1612/4885NPSR1 3172/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 MEN1 3097/4885KMT2A 595/4885NPSR1 4421/4885
US-20190119257-A1 Processes for the Preparation of Veliparib and Intermediates Thereof PARP1, PARP3, PARP11 MEN1 504/4885KMT2A 1612/4885NPSR1 3172/4885

“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.