SCHEMBL3396469

SCHEMBL3396469

c1ccc(-c2nnnn2C2CCCCO2)c(-c2ccc(C3OCCCO3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 2/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
PDE8B O95263 1/20 0.30
KCNN4 O15554 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29258756 0.82 ATR (0.41) ATRCYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL2815892 0.80 KCNN4 (0.40) ATRCYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL2816857 0.80 LMNA (0.42) ALDH1A1TSHRLMNAKCNN4HTT
SCHEMBL3396431 0.79 ABCG2 (0.38) DRD4
SCHEMBL29258348 0.76 L3MBTL1 (0.37) CYP4F2CYP4A11ALDH1A1LMNAHTT
SCHEMBL30955476 0.70 PTPN11 (0.42) ATRRXRARXRBRXRGCYP4F2
SCHEMBL16122947 0.70 FFAR1 (0.35) ATRRXRARXRBRXRGCYP4F2
SCHEMBL30955445 0.69 BRD4 (0.39) ATRRXRARXRBRXRGCYP4F2
SCHEMBL30955463 0.68 PTPN11 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24109360 0.65 MEN1 (0.45) ALDH1A1

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 6 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-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

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-20100152458-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL) BIPHENYL DERIVATIVES AGTR1, AGTR2, AGT ATR 1632/4885RXRA 1594/4885RXRB 1398/4885
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives AGTR1, AGTR2, AGT ATR 1645/4885RXRA 1754/4885RXRB 2221/4885

“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.