SCHEMBL8737445

SCHEMBL8737445

Cc1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.65
CA12 O43570 3/20 0.62
CA9 Q16790 3/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
PABPC1 P11940 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RPS6KA2 Q15349 1/20 0.56

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
SCHEMBL29820192 1.00 CASP3 (0.65) CASP3CA12CA9CA1CA2
SCHEMBL12431376 0.86 CA12 (0.60) CASP3CA12CA9CA1CA2
SCHEMBL19398817 0.86 RPS6KA2 (0.63) CASP3CA12CA9CA1CA2
SCHEMBL11167209 0.86 CASP3 (0.67) CASP3CA12CA9CA1CA2
SCHEMBL326305 0.85 CASP3 (0.85) CASP3CA12CA9CA1CA2
SCHEMBL30472950 0.85 CASP3 (0.85) CASP3CA12CA9CA1CA2
SCHEMBL8816419 0.85 CASP3 (0.56) CASP3CA12CA9CA1CA2
SCHEMBL18668950 0.84 CES2 (0.67) CASP3CA12CA9CA1CA2
SCHEMBL9053599 0.84 CASP3 (0.65) CASP3CA12CA9CA1CA2
SCHEMBL12104396 0.84 CA12 (0.65) CASP3CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627706-B 2- (4-methylbenzyl) -1H-isoindole-1,3-diketone derivative and synthetic method thereof 郑州手性药物研究院有限公司 2023-02-10 CN claimed
CN-110483439-B Method for synthesizing 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazole-3-one 郑州手性药物研究院有限公司 2022-12-30 CN claimed
CN-110483497-B 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazol-3-one intermediate and synthetic method thereof 郑州手性药物研究院有限公司 2022-12-30 CN claimed
CN-110627706-A 2- (4-methylbenzyl) -1H-isoindole-1, 3-dione derivative and synthesis method thereof 郑州手性药物研究院有限公司 2019-12-31 CN claimed
CN-111556871-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2023-07-07 CN disclosed
CN-110746342-B Preparation method of hydroxy lactam 南方科技大学 2023-05-16 CN disclosed
CN-110627706-B 2- (4-methylbenzyl) -1H-isoindole-1,3-diketone derivative and synthetic method thereof 郑州手性药物研究院有限公司 2023-02-10 CN disclosed
CN-110483497-B 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazol-3-one intermediate and synthetic method thereof 郑州手性药物研究院有限公司 2022-12-30 CN disclosed
CN-110483439-B Method for synthesizing 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazole-3-one 郑州手性药物研究院有限公司 2022-12-30 CN disclosed
CN-111465410-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-25 CN disclosed
CN-111526890-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-14 CN disclosed
CN-110734384-B Preparation method of hydroxyamide 南方科技大学 2022-09-20 CN disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20090023604-A1 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2009-01-22 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 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 (3 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-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CASP3 793/4885CA12 4281/4885CA9 3462/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF CASP3 1969/4885CA12 4599/4885CA9 3482/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF CASP3 1969/4885CA12 4599/4885CA9 3482/4885

“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.