SCHEMBL29862959

SCHEMBL29862959

C=C(OCC)c1ccc(NC(=O)OC(C)(C)C)nc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
SHMT2 P34897 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL24726041 1.00 KCNQ3 (0.38) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL24427689 0.87 KDM4E (0.39) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL31438550 0.83 MAPK8 (0.46) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL25198296 0.83 MAPK8 (0.46) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL15060517 0.82 ATR (0.39) SCN9ACYP17A1GAAATRKMT2A
SCHEMBL19205217 0.82 ATR (0.39) SCN9ACYP17A1GAAATRKMT2A
SCHEMBL38661717 0.81 ATR (0.49) CYP1A2KDM4EHPGDSCN9ACYP17A1
SCHEMBL38663529 0.81 ATR (0.49) CYP1A2KDM4EHPGDSCN9ACYP17A1
SCHEMBL24427232 0.80 AKT1 (0.36) SCN9ACYP17A1ATRLCKGSK3B
SCHEMBL29862857 0.80 AKT1 (0.36) SCN9ACYP17A1ATRLCKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138003-A1 DIHYDROINDOLIZINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-11566027-B2 Dihydroindolizinone derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2023-01-31 US disclosed
EP-3702357-B1 DIHYDROINDOLIZINONE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2022-08-24 EP 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 (2 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-20230138003-A1 DIHYDROINDOLIZINONE DERIVATIVE TFPI, F2, TFPI2 KCNQ3 3496/4885KCNQ2 2846/4885ABCB11 2781/4885
US-11566027-B2 Dihydroindolizinone derivative CYP2C19, CYP4A22, CYP4A11 KCNQ3 2842/4885KCNQ2 2063/4885ABCB11 1038/4885

“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.