SCHEMBL2390811

SCHEMBL2390811

CCCc1nc(C(=O)NC(CC(=O)O)Cc2ccccc2)[nH]c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.37
MMEL1 Q495T6 7/20 0.37
MME P08473 9/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
PIN1 Q13526 1/20 0.31
BRS3 P32247 1/20 0.31

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
SCHEMBL1968716 0.91 MME (0.38) CTSAMMEL1MMEITGB3ITGAV
SCHEMBL2394161 0.90 MMEL1 (0.42) CTSAMMEL1MME
SCHEMBL2391983 0.86 MME (0.31) MME
SCHEMBL3323231 0.85 NPC1 (0.35) BRS3
SCHEMBL2391694 0.81 MME (0.44) CTSAMMEL1MME
SCHEMBL656768 0.79 CTSA (0.38) CTSAMMEL1MME
SCHEMBL1970764 0.79 PYGL (0.35) MME
SCHEMBL656769 0.79 CTSA (0.38) CTSAMMEL1MME
SCHEMBL2390362 0.75 AGTR1 (0.38) MME
SCHEMBL652489 0.75 HDAC3 (0.39) CTSAMMEL1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865755-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-21 US disclosed
US-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-08-15 US disclosed
US-8338418-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-08-23 US disclosed
US-8080572-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-09-22 US disclosed
US-7863309-B2 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE, INC. (US) 2011-01-04 US disclosed
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 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 (4 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-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSA 438/4885MMEL1 776/4885MME 6/4885
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSA 438/4885MMEL1 776/4885MME 6/4885
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents AGTR1, REN, AGTR2 CTSA 1413/4885MMEL1 263/4885MME 4/4885
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSA 438/4885MMEL1 776/4885MME 6/4885

“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.