SCHEMBL376111

SCHEMBL376111

O=C(O)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
LMNA P02545 5/20 0.70
POLB P06746 2/20 0.70
GAA P10253 1/20 0.70
HPGD P15428 3/20 0.67
MAPT P10636 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
HTT P42858 1/20 0.67
SLC9A1 P19634 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 4/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL29941882 1.00 ALDH1A1 (0.70) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL3058461 0.86 LMNA (0.64) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL4943598 0.83 SMN1; SMN2 (0.76) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL19657077 0.79 SLC9A1 (0.64) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL5842477 0.78 ALDH1A1 (0.65) ALDH1A1HPGDMAPTNPSR1SLC9A1
SCHEMBL29941707 0.77 ALDH1A1 (0.77) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL3875107 0.77 ALDH1A1 (0.77) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL27669475 0.77 ALDH1A1 (0.55) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL3616840 0.75 ALDH1A1 (0.57) ALDH1A1LMNAPOLBGAAHPGD
SCHEMBL3616838 0.75 ALDH1A1 (0.57) ALDH1A1LMNAPOLBGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP claimed
JP-2011526625-A 2011-10-13 JP claimed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
EP-2259377-B1 SOLAR CELL SHARP KK (JP) 2020-06-03 EP disclosed
US-20200149034-A1 Methods and Compositions for Synthesis of Encoded Libraries HITGEN INC. (CN) 2020-05-14 US disclosed
US-10456379-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-10-29 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
EP-2632460-B1 THIOPHENE DERIVATIVES FOR USE IN THE TREATMENT OF TUBERCULOSIS UNIV VIRGINIA PATENT FOUNDATION (US) 2018-02-28 EP disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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 (6 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-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885LMNA 4548/4885POLB 1637/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 ALDH1A1 1211/4885LMNA 4362/4885POLB 3215/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885LMNA 2140/4885POLB 637/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 ALDH1A1 267/4885LMNA 3219/4885POLB 344/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 ALDH1A1 370/4885LMNA 4294/4885POLB 1569/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885LMNA 2140/4885POLB 637/4885

“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.