SCHEMBL4555546

SCHEMBL4555546

O=C1Nc2c(cc(Br)cc2C(F)(F)F)C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.56
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
TGM2 P21980 2/20 0.43
DNMT1 P26358 1/20 0.43
BCHE P06276 2/20 0.36
DAO P14920 2/20 0.36
NSD2 O96028 1/20 0.36
PARK7 Q99497 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
S100A4 P26447 1/20 0.31
LIG1 P18858 1/20 0.30

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
SCHEMBL14995633 0.83 ALDH1A1 (0.49) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4555257 0.81 CES1 (0.57) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4554137 0.79 ALDH1A1 (0.57) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4555823 0.79 CES1 (0.66) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL24619205 0.77 TGM2 (0.67) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL31049292 0.77 TGM2 (0.67) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL29870149 0.76 ALDH1A1 (0.67) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4738313 0.76 ALDH1A1 (0.67) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4555730 0.76 CES1 (0.51) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL4555834 0.74 CES1 (0.58) CES1ALDH1A1TGM2DNMT1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107750250-B Indolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-09-07 CN disclosed
US-10604484-B2 Indolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-03-31 US disclosed
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
EP-3288935-B1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
US-20180118683-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3288935-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
WO-2016176463-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 WO disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
EP-2800745-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES Phenex Pharmaceuticals AG (DE) 2014-11-12 EP disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC CES1 1281/4885ALDH1A1 2097/4885ALDH2 1557/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE CES1 1128/4885ALDH1A1 346/4885ALDH2 482/4885
US-10604484-B2 Indolone compounds and their use as AMPA receptor modulators GRIN3A, GRIN1, GRIN2B CES1 2180/4885ALDH1A1 1016/4885ALDH2 1804/4885
US-20180118683-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B CES1 2180/4885ALDH1A1 1016/4885ALDH2 1804/4885

“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.