SCHEMBL12401928

SCHEMBL12401928

CN(C)C=CC(=O)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
GAA P10253 4/20 0.59
RECQL P46063 2/20 0.58
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
GPR52 Q9Y2T5 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 5/20 0.48
MITF O75030 1/20 0.48
MAPK1 P28482 1/20 0.48
MDM2 Q00987 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL2210439 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL2210433 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL30432129 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL30442289 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL3742734 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL6769397 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29690244 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29750390 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL6769396 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29176318 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162057-A Preparation method of 5-sulfonyl-1, 4 dihydropyridine compound 西北工业大学 2023-05-26 CN claimed
CN-116162057-A Preparation method of 5-sulfonyl-1, 4 dihydropyridine compound 西北工业大学 2023-05-26 CN disclosed
EP-1910348-B1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 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 (2 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 TDP1 1889/4885GAA 1925/4885RECQL 1473/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 TDP1 1832/4885GAA 1784/4885RECQL 1506/4885

“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.