SCHEMBL23200058

SCHEMBL23200058

Cc1ccc(CN(C(=O)Nc2ccc(C#N)cc2)C2CCC2)o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.48
DCUN1D1 Q96GG9 5/20 0.47
UBE2M P61081 4/20 0.47
GCGR P47871 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PAX8 Q06710 1/20 0.42
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CCR1 P32246 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
SCHEMBL23200066 0.99 POLB (0.55) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23718870 0.93 POLB (0.53) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23718863 0.89 POLB (0.53) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23199930 0.89 POLB (0.53) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23200130 0.88 LMNA (0.48) POLBLMNADCUN1D1UBE2MGAA
SCHEMBL23199960 0.88 GCGR (0.45) POLBDCUN1D1UBE2MGCGRALDH1A1
SCHEMBL23200157 0.88 POLB (0.50) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23200142 0.88 POLB (0.50) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23699924 0.88 POLB (0.52) POLBLMNADCUN1D1UBE2MGCGR
SCHEMBL23718921 0.87 LMNA (0.47) POLBLMNADCUN1D1UBE2MGAA

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 POLB 2610/4885LMNA 4541/4885DCUN1D1 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.