SCHEMBL498019

SCHEMBL498019

OB(Oc1nnn[nH]1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
ENPP2 Q13822 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34

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
SCHEMBL3211566 0.78 CA1 (0.31)
SCHEMBL28491723 0.69 CA4 (0.34) CA4CA6CA5ACA7ENPP2
SCHEMBL14835811 0.69 CYP2C9 (0.38) CA4CA6CA5ACA7ENPP2
SCHEMBL8743661 0.67 LTA4H (0.32) CA4
SCHEMBL28818192 0.67 NPC1 (0.43)
SCHEMBL2475622 0.66 ORAI1 (0.48) CA4CA6CA5ACA7ENPP2
SCHEMBL28487737 0.66 ORAI1 (0.38) CA4CA6CA5ACA7ENPP2
SCHEMBL16087859 0.66 LMNA (0.44)
SCHEMBL11822724 0.65 LMNA (0.42)
SCHEMBL15326555 0.64 KDM4C (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP disclosed
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-9181206-B2 Dual-acting oxazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-11-10 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 US disclosed
US-8946233-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-03 US disclosed
EP-2250168-B1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8822522-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-02 US disclosed
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-07-10 US disclosed
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-05-15 US disclosed
US-8664227-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-5310929-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-10 US disclosed
US-5310928-A Process for preparing biphenyltetrazole compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-10 US disclosed
WO-1994003435-A1 PRODRUGS OF IMIDAZOLE CARBOXYLIC ACIDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-17 WO disclosed
WO-1993010106-A1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-27 WO disclosed
WO-1993010106-A1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-27 WO disclosed
US-5206374-A Process for preparing tetrazolylphenylboronic acid intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-27 US disclosed
US-5206374-A Process for preparing tetrazolylphenylboronic acid intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-27 US disclosed
US-5130439-A Tetrazolylphenylboronic acid intermediates for the synthesis of AII receptor antagonists E.I. DU PONT DE NEMOURS AND COMPANY, A CORPORATION OF DELAWARE 1992-07-14 US disclosed
US-5130439-A Tetrazolylphenylboronic acid intermediates for the synthesis of AII receptor antagonists E.I. DU PONT DE NEMOURS AND COMPANY, A CORPORATION OF DELAWARE 1992-07-14 US disclosed
US-5130439-A Tetrazolylphenylboronic acid intermediates for the synthesis of AII receptor antagonists E.I. DU PONT DE NEMOURS AND COMPANY, A CORPORATION OF DELAWARE 1992-07-14 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 (3 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-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 CA4 2158/4885CA6 1795/4885CA5A 1650/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CA4 1437/4885CA6 1850/4885CA5A 1237/4885
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 CA4 2158/4885CA6 1795/4885CA5A 1650/4885

“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.