SCHEMBL20189628

SCHEMBL20189628

COc1ccc(OC)c(NC(=O)CI)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ALDH1A1 P00352 6/20 0.64
GAA P10253 3/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
TP53 P04637 1/20 0.61
POLB P06746 3/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
RGS12 O14924 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL30593409 1.00 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
Iodoacetamide SCHEMBL21543908 0.94 KMT2A (0.66) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL5807392 0.86 KMT2A (0.75) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL6594370 0.86 KMT2A (0.75) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL17662314 0.84 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL5406017 0.84 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL5807397 0.84 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL28020714 0.84 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL3757797 0.84 KMT2A (0.73) KMT2ANPSR1ALDH1A1GAAKDM4E
SCHEMBL2502603 0.83 MAPT (0.71) KMT2ANPSR1ALDH1A1GAAKDM4E

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
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US claimed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US claimed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
EP-3545314-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 KMT2A 3587/4885NPSR1 3481/4885ALDH1A1 1092/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 KMT2A 3587/4885NPSR1 3481/4885ALDH1A1 1092/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 KMT2A 3587/4885NPSR1 3481/4885ALDH1A1 1092/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 KMT2A 3587/4885NPSR1 3481/4885ALDH1A1 1092/4885

“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.