SCHEMBL828865

SCHEMBL828865

CC(C)(O)c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
HPGD P15428 1/20 0.71
PARP1 P09874 14/20 0.59
DHODH Q02127 5/20 0.54

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
SCHEMBL825449 0.89 KDM4E (0.73) KDM4EHPGDPARP1DHODH
Hydrochloric Acid SCHEMBL829317 0.88 KDM4E (0.71) KDM4EHPGDPARP1DHODH
SCHEMBL8597971 0.83 KDM4E (1.00) KDM4EHPGDPARP1DHODH
SCHEMBL28267033 0.78 KDM4E (0.61) KDM4EHPGDPARP1DHODH
SCHEMBL1298127 0.78 PARP1 (0.73) KDM4EHPGDPARP1DHODH
SCHEMBL9725333 0.77 DHODH (0.77) KDM4EHPGDPARP1DHODH
SCHEMBL7863163 0.76 PARP1 (0.63) KDM4EHPGDPARP1DHODH
SCHEMBL8952887 0.76 KDM4E (0.62) KDM4EHPGDPARP1DHODH
SCHEMBL3091708 0.75 PARP1 (1.00) KDM4EHPGDPARP1
SCHEMBL20449581 0.74 KDM4E (0.60) KDM4EHPGDPARP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-09-01 US disclosed
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-22 US disclosed
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-10 US disclosed
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-30 US disclosed
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-05-23 US disclosed
US-10233172-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-03-19 US disclosed
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-08-23 US disclosed
US-9975877-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-22 US disclosed
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-23 US disclosed
US-9428489-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-30 US disclosed
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-02 US disclosed
US-20130273568-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2013-10-17 US disclosed
US-8377964-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-02-19 US disclosed
US-8143279-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-03-27 US disclosed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 EP disclosed
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2010-09-30 US disclosed
US-7759363-B2 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-20 US disclosed
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-08-20 US disclosed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 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 (12 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-10233172-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists HTR4, HTR1A, HTR5A KDM4E 652/4885HPGD 2784/4885PARP1 1125/4885
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR1A, HTR5A KDM4E 617/4885HPGD 2454/4885PARP1 1267/4885
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885

“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.