SCHEMBL2825638

SCHEMBL2825638

N#Cc1cc(F)cc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL10596241 0.85 CES2 (0.45) CES2CES1
SCHEMBL505097 0.82 HCAR1 (0.53) CES2CES1
SCHEMBL1764880 0.81 VNN1 (0.46)
SCHEMBL5222697 0.81 CES2 (0.45) CES2CES1
Hydrochloric Acid SCHEMBL6524503 0.81 HCAR1 (0.52) CES2CES1
SCHEMBL16960958 0.81 PARP1 (0.46) PARP1CES2CES1
SCHEMBL22557052 0.80 VNN1 (0.43)
Hydrochloric Acid SCHEMBL22557478 0.79 VNN1 (0.42)
SCHEMBL7077548 0.79 PARP1 (0.60) PARP1CES2CES1
SCHEMBL259315 0.79 CES2 (0.62) PARP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS HOFFMANN-LA ROCHE INC. (US) 2015-10-01 US claimed
EP-2909190-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP claimed
WO-2014060386-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO claimed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET [DK]/[DK] (DK) 2024-08-29 US disclosed
EP-4149931-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2023-03-22 EP disclosed
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 WO disclosed
WO-2007035161-A1 NEW PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (4 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 PARP1 4842/4885CES2 725/4885CES1 792/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 PARP1 2516/4885CES2 3389/4885CES1 2174/4885
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 PARP1 980/4885CES2 2513/4885CES1 4300/4885
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS APP, BACE1, IAPP PARP1 2825/4885CES2 847/4885CES1 722/4885

“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.