SCHEMBL23200045

SCHEMBL23200045

COc1ccc(CN(C(=O)Nc2ccc(F)c(F)c2)C2CCCC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
UBE2M P61081 13/20 0.53
DCUN1D1 Q96GG9 13/20 0.53
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL23200008 0.90 TP53 (0.55) TP53UBE2MDCUN1D1LMNAKDM4E
SCHEMBL23200023 0.86 ALDH1A1 (0.58) TP53UBE2MDCUN1D1LMNAKDM4E
SCHEMBL23699882 0.81 DCUN1D1 (0.48) TP53UBE2MDCUN1D1
SCHEMBL23699904 0.81 DCUN1D1 (0.57) TP53UBE2MDCUN1D1LMNA
SCHEMBL23200182 0.79 UBE2M (0.49) TP53UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL23699928 0.77 DCUN1D1 (0.61) UBE2MDCUN1D1
SCHEMBL23199924 0.76 NTRK1 (0.55) TP53UBE2MDCUN1D1ROCK2
SCHEMBL23199933 0.76 UBE2M (0.48) TP53UBE2MDCUN1D1LMNAKDM4E
SCHEMBL23199982 0.76 LMNA (0.55) TP53UBE2MDCUN1D1LMNAKDM4E
SCHEMBL23200037 0.75 HTT (0.47) LMNAALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 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 (1 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 TP53 557/4885UBE2M 3929/4885DCUN1D1 1039/4885

“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.