SCHEMBL874081

SCHEMBL874081

Fc1ccccc1F.OBO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ACHE P22303 1/20 0.45
NFE2L2 Q16236 4/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL45406 0.84
SCHEMBL29352330 0.84
SCHEMBL20593017 0.82 ALDH1A1 (0.47) CES2CES1ACHENFE2L2ALDH1A1
Methyl Alcohol SCHEMBL27855307 0.81 ACHE (0.56) CES2CES1ACHENFE2L2ALDH1A1
Bromide SCHEMBL1357794 0.81
Lithium SCHEMBL31490346 0.81
SCHEMBL31435867 0.81
Fluoride SCHEMBL28523973 0.81 ACHE (0.53) CES2CES1ACHENFE2L2ALDH1A1
Hydrogen Sulfide SCHEMBL28163250 0.81
SCHEMBL9062627 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781562-B1 PROCESS FOR PREPARING MODULATORS OF P300 AND/OR CBP CELLCENTRIC LTD (GB) 2024-11-20 EP disclosed
CN-116514722-A Benzimidazole derivatives as modulators of retinoic acid related orphan receptor gamma (ROR gamma) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-08-01 CN disclosed
EP-3781161-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (RORY) AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO LTD (CN) 2023-06-07 EP disclosed
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
CN-112135611-B Benzimidazole derivatives as modulators of retinoic acid-related orphan receptor gamma (ROR γ) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-01-31 CN disclosed
US-11453662-B2 Process for preparing modulators of p300 and/or CBP CELLCENTRIC LTD (GB) 2022-09-27 US disclosed
US-20210171471-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Uses Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-06-10 US disclosed
US-20210163463-A1 PROCESS FOR PREPARING MODULATORS OF P300 AND/OR CBP CELLCENTRIC LTD (GB) 2021-06-03 US disclosed
EP-3781161-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (RORY) AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-02-24 EP disclosed
EP-3781562-A1 PROCESS FOR PREPARING MODULATORS OF P300 AND/OR CBP Cellcentric Ltd (GB) 2021-02-24 EP disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (8 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 CES2 1333/4885CES1 1978/4885ACHE 1257/4885
US-20210171471-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Uses Thereof RORB, RORA, RORC CES2 4376/4885CES1 983/4885ACHE 3775/4885
US-20210163463-A1 PROCESS FOR PREPARING MODULATORS OF P300 AND/OR CBP EP300, CREBBP, KAT7 CES2 3132/4885CES1 2525/4885ACHE 1657/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 CES2 1286/4885CES1 2902/4885ACHE 815/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B CES2 1392/4885CES1 1113/4885ACHE 134/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 CES2 2641/4885CES1 2580/4885ACHE 3368/4885
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof RORB, RORA, RORC CES2 4390/4885CES1 1003/4885ACHE 3784/4885
US-11453662-B2 Process for preparing modulators of p300 and/or CBP EP300, CREBBP, KAT7 CES2 3132/4885CES1 2525/4885ACHE 1657/4885

“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.