SCHEMBL1967502

SCHEMBL1967502

CCCc1nnc(CNC(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
PLAU P00749 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL24095824 0.80 NPC1 (0.50) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL137308 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Benzyl Benzylcarbamate SCHEMBL1136818 0.75 PLAU (0.70) SMN1; SMN2LMNATNKSTNKS2PLAU
SCHEMBL13933317 0.75 RAB9A (0.50) SMN1; SMN2LMNATNKSTNKS2L3MBTL1
SCHEMBL3825080 0.75 RAB9A (0.47) SMN1; SMN2LMNATNKSTNKS2PLAU
SCHEMBL733157 0.74 LMNA (0.71) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Benzyl Benzylcarbamate SCHEMBL19810513 0.74 PLAU (0.68) SMN1; SMN2LMNATNKSTNKS2PLAU
Benzyl Benzylcarbamate SCHEMBL9998166 0.74 PLAU (0.68) SMN1; SMN2LMNATNKSTNKS2PLAU
Benzyl Benzylcarbamate SCHEMBL28413454 0.74 PLAU (0.68) SMN1; SMN2LMNATNKSTNKS2PLAU
SCHEMBL7416209 0.74 LMNA (0.50) SMN1; SMN2LMNATNKSTNKS2PLAU

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 21 patents — showing the first 20. 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-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-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-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-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-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
EP-2334651-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-06-22 EP 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-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-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
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
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
WO-2010011821-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-01-28 WO disclosed
WO-2010011821-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-01-28 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 (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 SMN1; SMN2 4276/4885LMNA 1515/4885TNKS 1677/4885
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 SMN1; SMN2 4276/4885LMNA 1515/4885TNKS 1677/4885
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 SMN1; SMN2 3885/4885LMNA 1794/4885TNKS 1280/4885
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 SMN1; SMN2 4276/4885LMNA 1515/4885TNKS 1677/4885

“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.