SCHEMBL23199954

SCHEMBL23199954

N#Cc1ccc(CN(C(=O)Nc2ccccc2)C2CCCC2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TP53 P04637 2/20 0.48
ATM Q13315 1/20 0.46
DCUN1D1 Q96GG9 5/20 0.44
KDM4E B2RXH2 3/20 0.44
UBE2M P61081 3/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL23200055 0.89 ALDH1A1 (0.45) ALDH1A1TP53DCUN1D1UBE2MUSP2
SCHEMBL23200048 0.83 ALDH1A1 (0.61) ALDH1A1TP53ATMDCUN1D1KDM4E
SCHEMBL23200025 0.81 UBE2M (0.60) ALDH1A1TP53ATMDCUN1D1KDM4E
SCHEMBL23200066 0.78 POLB (0.55) ALDH1A1TP53DCUN1D1KDM4EUBE2M
SCHEMBL23199960 0.78 GCGR (0.45) ALDH1A1TP53DCUN1D1UBE2MPOLB
SCHEMBL23200022 0.78 DCUN1D1 (0.61) ALDH1A1TP53ATMDCUN1D1KDM4E
SCHEMBL23699893 0.78 ALDH1A1 (0.63) ALDH1A1TP53ATMDCUN1D1KDM4E
SCHEMBL23199936 0.77 UBE2M (0.54) ALDH1A1TP53ATMDCUN1D1KDM4E
SCHEMBL23200058 0.77 POLB (0.56) ALDH1A1TP53DCUN1D1UBE2MPOLB
SCHEMBL23200067 0.76 ALDH1A1 (0.57) ALDH1A1TP53ATMDCUN1D1KDM4E

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 606/4885TP53 557/4885ATM 3204/4885

“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.