SCHEMBL20719582

SCHEMBL20719582

COc1nc(Cl)c(F)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
GAA P10253 3/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ERN1 O75460 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKDC P78527 1/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 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
SCHEMBL30448383 1.00 ALDH1A1 (0.42) ALDH1A1GAAKEAP1NFE2L2ERN1
SCHEMBL29580781 0.84 TDP1 (0.41) ALDH1A1GAAERN1CYP1A2CYP2C19
SCHEMBL20539389 0.84 TDP1 (0.41) ALDH1A1GAAERN1CYP1A2CYP2C19
SCHEMBL20540463 0.80 ALDH1A1 (0.36) ALDH1A1GAANFE2L2ERN1CYP1A2
SCHEMBL23961392 0.78 ERN1 (0.40) ALDH1A1GAAERN1CYP1A2CYP2C19
SCHEMBL3939862 0.77 CYP1A2 (0.48) ALDH1A1KEAP1NFE2L2ERN1CYP1A2
SCHEMBL2183570 0.76 CYP1A2 (0.40) ALDH1A1GAAERN1CYP1A2CYP2C19
SCHEMBL9828231 0.76 ALDH1A1 (0.55) ALDH1A1GAAERN1CYP3A4KDM4E
SCHEMBL22824045 0.74 KEAP1 (0.35) ALDH1A1GAAKEAP1NFE2L2CYP1A2
SCHEMBL12090841 0.74 ALDH1A1 (0.39) ALDH1A1GAAERN1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. 2023-06-22 US disclosed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US 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 (7 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2314/4885GAA 3930/4885KEAP1 1251/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885GAA 3911/4885KEAP1 1196/4885
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 301/4885GAA 732/4885KEAP1 475/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2314/4885GAA 3930/4885KEAP1 1251/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885GAA 3911/4885KEAP1 1196/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885GAA 3844/4885KEAP1 1276/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885GAA 3844/4885KEAP1 1276/4885

“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.