SCHEMBL2054576

SCHEMBL2054576

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 3/20 0.48
PARP1 P09874 1/20 0.48
GHSR Q92847 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRD4 O60885 1/20 0.45
PARG Q86W56 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRA6 Q16445 1/20 0.43
PDE3A Q14432 1/20 0.42

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
SCHEMBL13244957 0.86 KIF11 (0.54) KIF11CA12CA9KDM4EPARP1
SCHEMBL20885950 0.83 CA12 (0.45) KIF11CA12CA9KDM4EPARP1
SCHEMBL16219519 0.82 KDM4E (0.44) KIF11CA12CA9KDM4EPARP1
SCHEMBL21248093 0.82 KDM4E (0.58) KIF11CA12CA9KDM4EPARP1
SCHEMBL14355034 0.82 KIF11 (0.59) KIF11KDM4EPARP1GHSRBRD4
SCHEMBL19287943 0.81 CA12 (0.43) KIF11CA12CA9KDM4EPARP1
SCHEMBL2054571 0.81 KIF11 (0.47) KIF11KDM4EGHSRALDH1A1SMN1; SMN2
SCHEMBL14934160 0.81 PGR (0.50) KIF11CA12CA9KDM4EPARP1
SCHEMBL25243502 0.79 KIF11 (0.65) KIF11KDM4EGHSRALDH1A1HPGD
SCHEMBL30577796 0.79 KIF11 (0.65) KIF11KDM4EGHSRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS WAVE LIFE SCIENCES LTD. (SG) 2023-09-21 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 US disclosed
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-11013757-B2 Oligonucleotides, compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2021-05-25 US disclosed
US-20210130822-A1 ANTISENSE OLIGOMER COMPOUNDS SAREPTA THERAPEUTICS, INC. (US) 2021-05-06 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-07-23 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-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-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-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 (13 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT KIF11 2775/4885CA12 1973/4885CA9 660/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KIF11 1031/4885CA12 3220/4885CA9 1928/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 KIF11 1316/4885CA12 876/4885CA9 982/4885
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS ELOVL6, ELOVL5, ELOVL1 KIF11 2733/4885CA12 3073/4885CA9 1656/4885
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT KIF11 185/4885CA12 4059/4885CA9 3138/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 KIF11 500/4885CA12 4508/4885CA9 4425/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 KIF11 1678/4885CA12 2382/4885CA9 1072/4885
US-11013757-B2 Oligonucleotides, compositions and methods thereof TLR9, RNGTT, NT5C3B KIF11 3959/4885CA12 2290/4885CA9 2004/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 KIF11 1316/4885CA12 876/4885CA9 982/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 KIF11 1324/4885CA12 3803/4885CA9 2089/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 KIF11 1038/4885CA12 1593/4885CA9 922/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KIF11 413/4885CA12 1208/4885CA9 1205/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KIF11 1031/4885CA12 3220/4885CA9 1928/4885

“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.