SCHEMBL7352872

SCHEMBL7352872

CC(C)(c1ccccc1)n1nnc(-c2ccccc2-c2ccc(C=O)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR1 P30556 1/20 0.38
DRD1 P21728 3/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
NAT1 P18440 1/20 0.32
XDH P47989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 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
SCHEMBL6156586 0.90 POLB (0.47) POLBSMN1; SMN2ALOX5NPC1HPGD
SCHEMBL7348668 0.89 POLB (0.40) ABCG2POLBSMN1; SMN2AGTR1NPC1
SCHEMBL4638150 0.88 AGTR1 (0.45) ABCG2POLBSMN1; SMN2AGTR1DRD1
SCHEMBL7352477 0.87 ABCG2 (0.41) ABCG2POLBSMN1; SMN2AGTR1DRD1
SCHEMBL7772778 0.85 ABCG2 (0.44) ABCG2POLBSMN1; SMN2AGTR1NPC1
SCHEMBL6155 0.82 POLB (0.39) ABCG2POLBSMN1; SMN2AGTR1NPC1
SCHEMBL7344898 0.81 ABCG2 (0.42) ABCG2POLBSMN1; SMN2AGTR1NPC1
SCHEMBL7346670 0.81 AGTR1 (0.42) ABCG2POLBSMN1; SMN2AGTR1NPC1
SCHEMBL7346277 0.80 MEN1 (0.44) POLBSMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL7344950 0.79 ABCG2 (0.39) ABCG2POLBSMN1; SMN2AGTR1NPC1

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-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-5468867-A Process for preparing1-butyl-2-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl1-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-11-21 US 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.