SCHEMBL2054590

SCHEMBL2054590

CC(C)(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.50
GRIN3B O60391 7/20 0.50
GRIN1 Q05586 7/20 0.50
GRIN2A Q12879 7/20 0.50
GRIN2B Q13224 7/20 0.50
GRIN2C Q14957 7/20 0.50
GRIN3A Q8TCU5 7/20 0.50
KDM4E B2RXH2 3/20 0.50
KIF11 P52732 5/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR2 Q92731 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.44
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
KCNH2 Q12809 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2054571 0.88 KIF11 (0.47) KDM4EKIF11MAPTGRIA1KCNH2
SCHEMBL21022847 0.79 KIF11 (0.47) KIF11MAPTHSD17B10KCNH2SCN10A
SCHEMBL29580921 0.79 KDM4E (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL440536 0.79 KDM4E (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21022846 0.79 HPGD (0.50) KDM4EKIF11MAPTHSD17B10KCNH2
SCHEMBL14355034 0.77 KIF11 (0.59) KDM4EKIF11MEN1KMT2A
SCHEMBL11269962 0.76 KDM4E (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6418643 0.75 MAPT (0.75) KDM4EMAPTTP53MEN1LMNA
SCHEMBL25243502 0.73 KIF11 (0.65) KDM4EKIF11MEN1ALDH1A1LMNA
SCHEMBL31369133 0.73 KIF11 (0.65) KDM4EKIF11MAPTKCNH2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US 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 (11 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRIN2D 3985/4885GRIN3B 4283/4885GRIN1 3929/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRIN2D 3985/4885GRIN3B 4283/4885GRIN1 3929/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRIN2D 3985/4885GRIN3B 4283/4885GRIN1 3929/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 GRIN2D 4160/4885GRIN3B 4303/4885GRIN1 3870/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP GRIN2D 4093/4885GRIN3B 4279/4885GRIN1 4016/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 GRIN2D 4722/4885GRIN3B 4053/4885GRIN1 3942/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRIN2D 4053/4885GRIN3B 4315/4885GRIN1 3978/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRIN2D 3985/4885GRIN3B 4283/4885GRIN1 3929/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 GRIN2D 4123/4885GRIN3B 4437/4885GRIN1 4120/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 GRIN2D 4501/4885GRIN3B 3634/4885GRIN1 3721/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 GRIN2D 4160/4885GRIN3B 4303/4885GRIN1 3870/4885

“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.