SCHEMBL1670204

SCHEMBL1670204

Brc1ccc(I)cc1Cc1ccc2c(c1)NCCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC5A2 P31639 2/20 0.41
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PRKCI P41743 1/20 0.33
BRD4 O60885 1/20 0.32
POLB P06746 1/20 0.30
PLK4 O00444 1/20 0.30
NTRK1 P04629 1/20 0.30
PTGER3 P43115 1/20 0.30
GRM5 P41594 1/20 0.30
SNCA P37840 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
SCHEMBL1670233 0.81 SLC5A2 (0.42) MAPTSLC5A2POLB
SCHEMBL1672720 0.79 SLC5A2 (0.38) SLC5A2PRKCIPOLB
SCHEMBL18708235 0.78 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SLC5A2
SCHEMBL1670103 0.75 SLC5A2 (0.43) ALDH1A1GAAMAPTHSD17B10SLC5A2
SCHEMBL3462757 0.70 ALDH1A1 (0.57) ALDH1A1GAAMAPTHSD17B10SLC5A2
SCHEMBL8433820 0.70 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SLC5A2
SCHEMBL3781207 0.70 ALDH1A1 (0.57) ALDH1A1GAAMAPTHSD17B10SLC5A2
SCHEMBL1670175 0.69 CYP2D6 (0.39) MAPT
SCHEMBL30895878 0.68 MAPT (0.62) ALDH1A1GAAMAPTHSD17B10PDE3B
SCHEMBL304283 0.68 MAPT (0.62) ALDH1A1GAAMAPTHSD17B10PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
EP-2491029-B1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2016-02-10 EP disclosed
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US disclosed
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2491029-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2012-08-29 EP disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 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 (6 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885MAPT 1112/4885

“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.