SCHEMBL23200023

SCHEMBL23200023

COc1ccc(CN(C(=O)Nc2ccccc2)C2CCCC2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
USP2 O75604 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
UBE2M P61081 8/20 0.49
DCUN1D1 Q96GG9 8/20 0.49
TP53 P04637 4/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 1/20 0.47
ROCK2 O75116 1/20 0.46
THRB P10828 1/20 0.46

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) ALDH1A1USP2KDM4EHPGDCASP1
SCHEMBL23200045 0.86 TP53 (0.53) ALDH1A1USP2KDM4EHPGDCASP1
SCHEMBL23200037 0.85 HTT (0.47) ALDH1A1HPGDLMNAPOLBMAPT
SCHEMBL9256017 0.81 ALDH1A1 (0.66) ALDH1A1UBE2MDCUN1D1TP53LMNA
Pencycuron SCHEMBL22525 0.77 AGER (0.62) ALDH1A1USP2KDM4EHPGDCASP1
Pencycuron SCHEMBL8817027 0.77 AGER (0.62) ALDH1A1USP2KDM4EHPGDCASP1
SCHEMBL11057174 0.77 AGER (0.62) ALDH1A1UBE2MDCUN1D1TP53ATM
SCHEMBL11615939 0.77 ALDH1A1 (0.61) ALDH1A1USP2KDM4EHPGDCASP1
SCHEMBL9264006 0.77 ROCK2 (0.61) ALDH1A1USP2KDM4EHPGDCASP1
SCHEMBL11621624 0.76 AGER (0.64) ALDH1A1USP2KDM4EHPGDCASP1

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 ALDH1A1 606/4885USP2 4287/4885KDM4E 2770/4885

“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.