SCHEMBL7780180

SCHEMBL7780180

CN1C(=O)C(=O)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.55
TTR P02766 1/20 0.55
APAF1 O14727 1/20 0.49
CASP3 P42574 5/20 0.49
S100A4 P26447 2/20 0.47
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 2/20 0.42
ALDH3A1 P30838 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
AGTR1 P30556 1/20 0.41
CA12 O43570 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
SCHEMBL8296661 0.85 CASP3 (0.62) CES1TTRCASP3S100A4CASP1
SCHEMBL30704875 0.85 CASP3 (0.62) CES1TTRCASP3S100A4CASP1
SCHEMBL19657305 0.78 TTR (0.57) CES1TTRCASP3CASP1CASP4
SCHEMBL5190489 0.78 CA2 (0.44) TTRAPAF1S100A4CA2CA1
SCHEMBL5190480 0.78 CA2 (0.44) TTRAPAF1S100A4CA2CA1
SCHEMBL20535085 0.78 CA2 (0.36) APAF1CASP3S100A4CA2CA1
SCHEMBL30404664 0.77 TTR (0.55) CES1TTRCASP3CASP1CASP4
SCHEMBL29704375 0.77 CES1 (0.55) CES1TTRCASP3S100A4CASP1
SCHEMBL15094827 0.77 TTR (0.55) CES1TTRCASP3CASP1CASP4
SCHEMBL19657758 0.77 CES1 (0.55) CES1TTRCASP3CASP1CASP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735871-B Preparation method and application of indole spiro dihydropyridine dicoumarol compound 江苏大学 2023-04-11 CN disclosed
CN-112898311-B Indole spiro pyridocoumarin compound and preparation method and application thereof 江苏大学 2022-06-21 CN disclosed
CN-113735871-A Preparation method and application of indole spiro dihydropyridine dicoumarol compound 江苏大学 2021-12-03 CN disclosed
CN-113564623-A Method for preparing isatin compound by electrochemically oxidizing N-substituted indole derivative 福建师范大学 2021-10-29 CN disclosed
CN-112898311-A Indole spiro pyridocoumarin compound and preparation method and application thereof 江苏大学 2021-06-04 CN disclosed
US-20210130346-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2021-05-06 US disclosed
EP-3609896-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2020-02-19 EP disclosed
WO-2018188047-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2018-10-18 WO disclosed
CN-104557957-B Synthetic method of spiro-oxoindole ethylene oxide derivative 华东师范大学 2017-04-19 CN disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 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 (1 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-20210130346-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 CES1 577/4885TTR 4569/4885APAF1 981/4885

“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.