SCHEMBL825449

SCHEMBL825449

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
HPGD P15428 1/20 0.73
PARP1 P09874 14/20 0.61
DHODH Q02127 5/20 0.55

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
Hydrochloric Acid SCHEMBL829317 0.98 KDM4E (0.71) KDM4EHPGDPARP1DHODH
SCHEMBL828865 0.89 KDM4E (0.71) KDM4EHPGDPARP1DHODH
SCHEMBL8597971 0.84 KDM4E (1.00) KDM4EHPGDPARP1DHODH
SCHEMBL19268312 0.80 PARP1 (0.53) KDM4EHPGDPARP1
SCHEMBL28267033 0.79 KDM4E (0.61) KDM4EHPGDPARP1DHODH
SCHEMBL1298127 0.79 PARP1 (0.73) KDM4EHPGDPARP1DHODH
SCHEMBL9725333 0.78 DHODH (0.77) KDM4EHPGDPARP1DHODH
SCHEMBL7969798 0.78 DHODH (0.58) KDM4EHPGDPARP1DHODH
SCHEMBL18786057 0.78 KDM4E (0.59) KDM4EHPGDPARP1DHODH
SCHEMBL21705588 0.77 DHODH (0.73) PARP1DHODH

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428489-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-30 US claimed
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-02 US claimed
US-8377964-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-02-19 US claimed
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2010-09-30 US claimed
US-7759363-B2 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-20 US claimed
EP-1899324-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-03-19 EP claimed
WO-2006127815-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-11-30 WO claimed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 US claimed
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-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-22 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-10 US disclosed
EP-1899324-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-03-19 EP disclosed
EP-1882013-A1 HIGHLY FILLED COLORANT COMPOSITION FOR COLOURING OLEFINIC AND NON-OLEFINIC PLASTICS Clariant Produkte (Deutschland) GmbH (DE) 2008-01-30 EP disclosed
WO-2006127815-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-11-30 WO disclosed
WO-2006127815-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-11-30 WO disclosed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 US disclosed
WO-2006119904-A1 HIGHLY FILLED COLORANT COMPOSITION FOR COLOURING OLEFINIC AND NON-OLEFINIC PLASTICS CLARIANT PRODUKTE (DEUTSCHLAND)GMBH (DE) 2006-11-16 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 (7 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-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A KDM4E 662/4885HPGD 2484/4885PARP1 1181/4885
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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS KDM4E 3372/4885HPGD 2319/4885PARP1 4039/4885
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-20150183761-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.