SCHEMBL3396645

SCHEMBL3396645

COc1ccccc1-c1nn[nH]n1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.77
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.71
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GAA P10253 1/20 0.61
PBRM1 Q86U86 1/20 0.56
IDO1 P14902 1/20 0.56
LDHA P00338 1/20 0.56
METAP2 P50579 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
GPR35 Q9HC97 2/20 0.50
MAP3K8 P41279 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PFKFB3 Q16875 1/20 0.46
PFKFB4 Q16877 1/20 0.46

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
SCHEMBL30786304 0.80 ALDH1A1 (0.75) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL9182513 0.79 ALDH1A1 (0.56) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL5606179 0.78 MEN1 (0.59) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL2445769 0.77 XDH (0.52) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL8171724 0.77 XDH (0.69) XDHALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30786295 0.77 XDH (0.59) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL8294492 0.76 ALDH1A1 (0.73) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL8429622 0.76 GAA (1.00) XDHKDM4EPKMALDH1A1MEN1
SCHEMBL5382098 0.75 XDH (0.63) XDHKDM4EPKMALDH1A1PDE3B
SCHEMBL23066466 0.74 ALDH1A1 (0.61) KDM4EPKMALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246348-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl)-biphenyl derivatives Novartis AG (CH) 2010-11-03 EP disclosed
US-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 US disclosed
US-20100152458-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL) BIPHENYL DERIVATIVES NOVARTIS PHARMACEUTICALS CORPORATION 2010-06-17 US disclosed
US-7700784-B2 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives NOVARTIS PHARMACEUTICALS CORPORATION 2007-06-07 US disclosed
EP-1716140-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL)-BIPHENYL DERIVATIVES Novartis AG (CH) 2006-11-02 EP disclosed
WO-2005075462-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL)-BIPHENYL DERIVATIVES NOVARTIS AG (CH) 2005-08-18 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
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
US-5527918-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) 1996-06-18 US disclosed
WO-1995032961-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) 1995-12-07 WO 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 (3 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-20100152458-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL) BIPHENYL DERIVATIVES AGTR1, AGTR2, AGT XDH 2655/4885KDM4E 2767/4885PKM 2370/4885
US-20100256109-A1 Azetidines As EP2 Antagonists PTGER2, PTGER1, PTGDR2 XDH 2554/4885KDM4E 617/4885PKM 1652/4885
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives AGTR1, AGTR2, AGT XDH 2930/4885KDM4E 4414/4885PKM 2730/4885

“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.