SCHEMBL7344898

SCHEMBL7344898

CC(C)(c1ccccc1)n1nnc(-c2ccccc2-c2ccc(CO)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AGTR1 P30556 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL7346917 0.89 SMN1; SMN2 (0.43) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL7346670 0.89 AGTR1 (0.42) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL4638349 0.87 AGTR1 (0.47) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL7772778 0.86 ABCG2 (0.44) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL7352872 0.81 ABCG2 (0.41) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL7346277 0.81 MEN1 (0.44) POLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL8783660 0.81 SMN1; SMN2 (0.40) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL7344950 0.80 ABCG2 (0.39) ABCG2POLBSMN1; SMN2AGTR1L3MBTL1
SCHEMBL4814768 0.78 AGTR1 (0.60) AGTR1
SCHEMBL9136967 0.78 POLB (0.46) POLBSMN1; SMN2AGTR1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP claimed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO claimed
US-5412102-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-05-02 US claimed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US disclosed
EP-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed
US-5446121-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed
US-5412102-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-05-02 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 (1 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-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN ABCG2 1983/4885POLB 2228/4885SMN1; SMN2 2701/4885

“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.