SCHEMBL8214700

SCHEMBL8214700

COc1ccc(Br)c(SF)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5878716 0.83 CRHR1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL21950833 0.82 CRHR1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL9345742 0.81 CA1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL30250475 0.75 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1134723 0.75 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL19297784 0.73 APP (0.49) CA12CA1CA2CA9CYP1A2
SCHEMBL276828 0.72 EGFR (0.48) CA12CA1CA2CA7CA9
SCHEMBL29785358 0.72 EGFR (0.48) CA12CA1CA2CA7CA9
SCHEMBL3595820 0.72 HPGD (0.36) CA12CA1CA2CA7CA9
SCHEMBL6449465 0.72 CA1 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS META PLATFORMS TECHNOLOGIES, LLC 2024-05-09 US disclosed
EP-3245212-B1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2019-03-13 EP disclosed
US-10053471-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-21 US disclosed
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 EP disclosed
US-20180002349-A1 New Azabenzimidazole Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GBMH (DE) 2018-01-04 US disclosed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 EP disclosed
EP-3245212-A1 NEW AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2017-11-22 EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 US disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 US disclosed
EP-3083567-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-26 EP disclosed
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 US disclosed
WO-2016113299-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 EP disclosed
WO-2015091741-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-25 WO disclosed
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 WO disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (5 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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 CA12 4328/4885CA1 4368/4885CA2 3022/4885
US-20180002349-A1 New Azabenzimidazole Derivatives PRKAB2, PRKAB1, PRKAR2B CA12 4593/4885CA1 4690/4885CA2 1827/4885
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 CA12 4759/4885CA1 4264/4885CA2 3530/4885
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS AR, OR10J3, ESRRG CA12 1442/4885CA1 2106/4885CA2 1583/4885
US-10053471-B2 Azabenzimidazole derivatives PRKAB2, PRKAB1, PRKAG2 CA12 4505/4885CA1 4651/4885CA2 1997/4885

“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.