SCHEMBL2815892

SCHEMBL2815892

Brc1ccccc1-c1nnnn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
ELANE P08246 1/20 0.32

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 0.85 ATR (0.41) KCNN4SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL2816857 0.85 LMNA (0.42) KCNN4SLC6A2SLC6A4SMN1; SMN2ALDH1A1
SCHEMBL29258348 0.81 L3MBTL1 (0.37) SMN1; SMN2CYP4F2CYP4A11ALDH1A1HSD11B1
SCHEMBL3396469 0.80 ATR (0.33) KCNN4SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL26772018 0.76 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30955463 0.72 PTPN11 (0.42) SLC6A2SLC6A4CYP4F2CYP4A11ALDH1A1
SCHEMBL30955445 0.71 BRD4 (0.39) CYP4F2CYP4A11ALDH1A1POLBATR
SCHEMBL30955476 0.70 PTPN11 (0.42) CYP4F2CYP4A11ATR
SCHEMBL19879311 0.70 ATR (0.37) CYP4F2CYP4A11PDE10AATR
SCHEMBL19866178 0.70 RET (0.39) CYP4F2CYP4A11PDE10AATR

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 13 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-20100249429-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS PHARMACEUTICALS CORPORATION 2010-09-30 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-20090111995-A1 Process for the manufacture valsartan NOVARTIS AG (CH) 2009-04-30 US disclosed
EP-1546122-B8 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS AG (CH) 2008-05-28 EP disclosed
EP-1878729-A1 INTERMEDIATE FOR THE MANUFACTURE OF VALSARTAN Novartis AG (CH) 2008-01-16 EP 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
US-20060069268-A1 Process for the manufacture of valsartan DENNI-DISCHERT DONATIENNE 2006-03-30 US 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-1546122-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004026847-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS AG (CH) 2004-04-01 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 (5 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 KCNN4 2789/4885SLC6A2 1392/4885SLC6A4 1321/4885
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives AGTR1, AGTR2, AGT KCNN4 2943/4885SLC6A2 1437/4885SLC6A4 1433/4885
US-20060069268-A1 Process for the manufacture of valsartan AGTR1, AGTR2, AGT KCNN4 1925/4885SLC6A2 355/4885SLC6A4 598/4885
US-20100249429-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN AGTR1, AGTR2, AGT KCNN4 1925/4885SLC6A2 355/4885SLC6A4 598/4885
US-20090111995-A1 Process for the manufacture valsartan AGTR1, AGTR2, AGT KCNN4 2395/4885SLC6A2 367/4885SLC6A4 644/4885

“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.