SCHEMBL5578461

SCHEMBL5578461

CCOc1ccccc1[C]1C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(OC)c(C(N)=O)c21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
AVPR1B P47901 2/20 0.41
ALOX15 P16050 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL16857952 0.91 GAA (0.48) GAATSHRLMNAMAPK1MAPT
SCHEMBL5420923 0.87 LMNA (0.44) GAATSHRLMNAMAPK1MAPT
SCHEMBL5578283 0.81 GAA (0.42) GAATSHRLMNAMAPK1MAPT
SCHEMBL5422290 0.80 AVPR1B (0.43) LMNAMAPK1MAPTPOLBKMT2A
SCHEMBL16857969 0.80 MAPT (0.42) GAATSHRMAPTPOLBALDH1A1
SCHEMBL16857958 0.80 PDE4B (0.37) GAATSHRLMNAMAPK1MAPT
SCHEMBL5578433 0.79 SMN1; SMN2 (0.44) TSHRLMNAMAPTPOLBKMT2A
SCHEMBL5578372 0.78 MAPK1 (0.44) GAATSHRLMNAMAPK1MAPT
SCHEMBL5578462 0.72 AVPR1B (0.55) GAATSHRLMNAMAPK1MAPT
SCHEMBL16857966 0.70 MAPT (0.44) GAATSHRLMNAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US claimed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP claimed
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2017-02-23 US disclosed
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US disclosed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP disclosed
US-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-03 US disclosed
US-8580842-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-11-12 US disclosed
EP-2546250-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546252-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546251-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
US-8350055-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them AbbVie Deutschland GmbH & Co. KG (DE) 2007-08-09 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-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A GAA 4503/4885TSHR 254/4885LMNA 3141/4885
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them OXTR, AVPR2, AVPR1A GAA 4600/4885TSHR 239/4885LMNA 3279/4885
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A GAA 4503/4885TSHR 254/4885LMNA 3141/4885

“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.