SCHEMBL2361949

SCHEMBL2361949

FC(ONc1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CTSD P07339 1/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4654107 0.79 ALDH1A1 (0.39) TDP1ALDH1A1HSD17B10CTSDKMT2A
SCHEMBL7024449 0.76 DPP4 (0.41) ALDH1A1LMNATSHRMAPK1MTOR
SCHEMBL9225010 0.76 ALDH1A1 (0.36) TDP1ALDH1A1HSD17B10CTSDKMT2A
SCHEMBL2255542 0.70 TDP1 (0.48) TDP1ALDH1A1HSD17B10CTSDKMT2A
SCHEMBL34463716 0.70 IDO1 (0.42) POLBTDP1ALDH1A1HSD17B10CTSD
SCHEMBL942923 0.70 ALDH1A1 (0.56) POLBTDP1ALDH1A1KMT2ALMNA
SCHEMBL2439065 0.69 GSR (0.47) POLBALDH1A1KMT2AL3MBTL1KLK7
SCHEMBL2439069 0.69 GSR (0.47) POLBALDH1A1KMT2AL3MBTL1KLK7
SCHEMBL14369933 0.69 ALDH1A1 (0.39) POLBTDP1ALDH1A1HSD17B10CTSD
SCHEMBL943554 0.68 NAPRT (0.44) POLBALDH1A1HSD17B10KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358666-A1 A NOVEL PROCESS FOR THE PREPARATION OF LAPATINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Natco Pharma Limited (IN) 2011-08-24 EP disclosed
US-20100010022-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 US disclosed
US-20090203718-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LTD. (IE) 2009-08-13 US disclosed
EP-1755394-A4 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
EP-2012587-A2 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2009-01-14 EP disclosed
WO-2008063853-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-05-29 WO disclosed
WO-2007121279-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-10-25 WO disclosed
US-20070208023-A1 Cancer Treatment Method SMITHKLINE BEECHAM CORPORATION (US) 2007-09-06 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1755394-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2007-02-28 EP disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
WO-2005105094-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2005-11-10 WO disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 US disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO disclosed
EP-1492568-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTRATION OF AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SmithKline Beecham Corporation (US) 2005-01-05 EP disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 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-20100010022-A1 CANCER TREATMENT METHOD TP53, TYMP, TOP2A POLB 83/4885TDP1 806/4885ALDH1A1 965/4885
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS POLB 2732/4885TDP1 4377/4885ALDH1A1 2591/4885
US-20090203718-A1 CANCER TREATMENT METHOD IGF1R, EGFR, ERBB2 POLB 829/4885TDP1 2879/4885ALDH1A1 919/4885
US-20070208023-A1 Cancer Treatment Method TP53, TYMP, TOP2A POLB 83/4885TDP1 806/4885ALDH1A1 965/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA POLB 896/4885TDP1 2990/4885ALDH1A1 2956/4885

“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.