SCHEMBL420546

SCHEMBL420546

Cc1cc(C(N)=O)c(C(F)(F)F)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LIMK1 P53667 1/20 0.37
POLB P06746 2/20 0.37
NOTUM Q6P988 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
JAK2 O60674 2/20 0.34
SCD O00767 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 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
SCHEMBL885485 0.83 NOTUM (0.49) MAPTKDM4EPOLBNOTUMHTT
SCHEMBL14749252 0.83 MAPT (0.38) L3MBTL1AURKARPS6KB1AURKBMAPT
SCHEMBL3061999 0.81 MAPT (0.41) L3MBTL1AURKARPS6KB1AURKBMAPT
SCHEMBL2308270 0.79 ALDH1A1 (0.39) L3MBTL1MAPTKDM4ENOTUMHTT
SCHEMBL2305192 0.79 MAPT (0.42) L3MBTL1AURKARPS6KB1AURKBMAPT
SCHEMBL13485763 0.79 KDM4E (0.42) L3MBTL1AURKARPS6KB1AURKBMAPT
SCHEMBL2304956 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL8630316 0.77 MAPT (0.41) L3MBTL1AURKARPS6KB1AURKBMAPT
SCHEMBL2280370 0.76 GAA (0.54) L3MBTL1MAPTKDM4EPOLBALDH1A1
SCHEMBL13753597 0.76 POLB (0.44) L3MBTL1AURKARPS6KB1AURKBMAPT

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
WO-2009129371-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-20090264499-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US claimed
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 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 (8 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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 L3MBTL1 2721/4885AURKA 1910/4885RPS6KB1 1294/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 L3MBTL1 2721/4885AURKA 1910/4885RPS6KB1 1294/4885
US-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 L3MBTL1 2533/4885AURKA 2091/4885RPS6KB1 3195/4885
US-20090264499-A1 Cathepsin C Inhibitors CTSB, CTSF, CTSG L3MBTL1 3940/4885AURKA 3213/4885RPS6KB1 1899/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 L3MBTL1 3949/4885AURKA 2025/4885RPS6KB1 2452/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 L3MBTL1 2721/4885AURKA 1910/4885RPS6KB1 1294/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 L3MBTL1 2818/4885AURKA 1983/4885RPS6KB1 1342/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 L3MBTL1 2721/4885AURKA 1910/4885RPS6KB1 1294/4885

“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.