SCHEMBL4638150

SCHEMBL4638150

O=Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
DRD1 P21728 3/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 1/20 0.33
CYP2A6 P11509 1/20 0.33
XDH P47989 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
NAT1 P18440 1/20 0.31
KCNJ1 P48048 2/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL8784604 0.89 ABCG2 (0.39) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL7352872 0.88 ABCG2 (0.41) AGTR1ABCG2DRD1DRD2DRD4
SCHEMBL30743612 0.86 ABCG2 (0.55) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL7352477 0.84 ABCG2 (0.41) AGTR1ABCG2DRD1DRD2DRD4
SCHEMBL4638846 0.83 ABCG2 (0.46) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL15391225 0.83 AGTR1 (0.47) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL9033772 0.81 AGTR1 (0.41) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL4638349 0.81 AGTR1 (0.47) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL3875056 0.80 AGTR1 (0.49) AGTR1ABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL9429727 0.80 AGTR1 (0.43) AGTR1ABCG2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371233-A 2-(tetrazol-5-yl)-1,1'-biphenyl derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1994-12-06 US claimed
EP-1384717-B1 2-(2'-triphenylmethyl-2'H-tetrazol-5'-yl)phenylboronic acid intermediates for the synthesis of A II receptor antagonists DU PONT (US) 2008-05-14 EP disclosed
US-20070072923-A1 Process for producing 2'-(1h-tetrazol-5-yl)biphenyl-4-carbaldehyde SUMITOMO CHEMICAL COMPANY, LIMITED 2007-03-29 US disclosed
US-20070072923-A1 Process for producing 2'-(1h-tetrazol-5-yl)biphenyl-4-carbaldehyde SUMITOMO CHEMICAL COMPANY, LIMITED 2007-03-29 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
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US disclosed
EP-1384717-A2 Tetrazolylphenylboronic acid intermediates for the synthesis of A II receptor antagonists E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-01-28 EP disclosed
EP-0643704-B1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS DU PONT (US) 2003-09-17 EP disclosed
WO-1998027077-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-06-25 WO disclosed
EP-0760814-A1 A PROCESS 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
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
US-5371233-A 2-(tetrazol-5-yl)-1,1'-biphenyl derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1994-12-06 US disclosed
US-5369114-A Angiotensin II antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-11-29 US disclosed
US-5310928-A Process for preparing biphenyltetrazole compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-10 US disclosed
EP-0550313-A1 2-(Tetranol-5-yl)-(1,1'-biphenyl)derivatives, their preparation and use as intermediates SYNTHELABO (FR) 1993-07-07 EP 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
EP-0456442-A1 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-11-13 EP 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 (2 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-20070072923-A1 Process for producing 2'-(1h-tetrazol-5-yl)biphenyl-4-carbaldehyde TH, CYP4B1, ABL1 AGTR1 816/4885ABCG2 118/4885DRD1 931/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN AGTR1 2/4885ABCG2 1983/4885DRD1 4100/4885

“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.