SCHEMBL8156286

SCHEMBL8156286

COc1ccc(C(N)=O)cc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
CYP1A2 P05177 4/20 0.63
CYP2C19 P33261 4/20 0.63
CYP2D6 P10635 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 2/20 0.62
HTT P42858 2/20 0.62
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
PKM P14618 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 4/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.52

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
SCHEMBL7439701 0.86 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL432016 0.85 TSHR (0.62) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL27630437 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL29415167 0.84 MAPK1 (0.77) ALDH1A1CYP1A2CYP2C19TSHRHTT
SCHEMBL335681 0.84 MAPK1 (0.77) ALDH1A1CYP1A2CYP2C19TSHRHTT
SCHEMBL313116 0.83 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL31652866 0.83 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL36091 0.83 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
Hydrochloric Acid SCHEMBL5154533 0.82 MAPK1 (0.74) ALDH1A1CYP1A2CYP2C19TSHRHTT
SCHEMBL29810107 0.81 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
EP-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
CN-112805267-A Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2021-05-14 CN disclosed
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 EP disclosed
CN-104321325-B Pyrrolopyrrole alkanone compound 诺华股份有限公司 2016-11-16 CN disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed
CN-104321325-A Pyrrolopyrrolidinone compounds NOVARTIS AG 2015-01-28 CN disclosed
EP-2807164-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2014-12-03 EP disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8815926-B2 Substituted pyrrolo[3,4-D]imidazoles for the treatment of MDM2/4 mediated diseases NOVARTIS AG (CH) 2014-08-26 US disclosed
US-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-01-09 US disclosed
WO-2014008214-A1 BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS BIOGEN IDEC MA INC. (US) 2014-01-09 WO disclosed
WO-2014008214-A1 BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS BIOGEN IDEC MA INC. (US) 2014-01-09 WO disclosed
WO-2013111105-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2013-08-01 WO disclosed
US-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 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 (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-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 ALDH1A1 2047/4885CYP1A2 2781/4885CYP2C19 2949/4885
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 ALDH1A1 2047/4885CYP1A2 2781/4885CYP2C19 2949/4885
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 ALDH1A1 441/4885CYP1A2 235/4885CYP2C19 336/4885

“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.