SCHEMBL23200066

SCHEMBL23200066

Cc1ccc(CN(C(=O)Nc2ccc(C#N)cc2)C2CCCC2)o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.48
UBE2M P61081 4/20 0.47
DCUN1D1 Q96GG9 4/20 0.47
GCGR P47871 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.43
EPHX1 P07099 1/20 0.43
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23200058 0.99 POLB (0.56) POLBLMNAUBE2MDCUN1D1GCGR
SCHEMBL23718870 0.92 POLB (0.53) POLBLMNAUBE2MDCUN1D1GCGR
SCHEMBL23199960 0.89 GCGR (0.45) POLBUBE2MDCUN1D1GCGRALDH1A1
SCHEMBL23200130 0.89 LMNA (0.48) POLBLMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL23718921 0.88 LMNA (0.47) POLBLMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL23199966 0.88 DCUN1D1 (0.54) POLBLMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL23699905 0.88 UBE2M (0.51) POLBLMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL23199930 0.88 POLB (0.53) POLBLMNAUBE2MDCUN1D1GCGR
SCHEMBL23718863 0.88 POLB (0.53) POLBLMNAUBE2MDCUN1D1GCGR
SCHEMBL23200222 0.87 LMNA (0.51) LMNAUBE2MDCUN1D1ALDH1A1GAA

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 4541/4885UBE2M 3929/4885

“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.