SCHEMBL23200112

SCHEMBL23200112

O=C(Nc1ccc(F)c(F)c1)N(Cc1ccccc1Cl)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
UBE2M P61081 7/20 0.51
DCUN1D1 Q96GG9 7/20 0.51
SLC6A9 P48067 2/20 0.49
SLC6A5 Q9Y345 2/20 0.49
TP53 P04637 6/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL23200143 0.85 MEN1 (0.62) POLBMEN1KMT2ATP53MAPT
SCHEMBL23200085 0.81 SMN1; SMN2 (0.66) POLBMEN1KMT2AUBE2MDCUN1D1
SCHEMBL23199972 0.81 UBE2M (0.47) POLBUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL10587249 0.80 SLC6A9 (0.58) POLBMEN1KMT2AUBE2MDCUN1D1
SCHEMBL23699945 0.79 TP53 (0.48) POLBUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL23199984 0.79 TSHR (0.59) POLBMEN1KMT2AUBE2MDCUN1D1
SCHEMBL23200060 0.78 UBE2M (0.67) MEN1KMT2AUBE2MDCUN1D1SLC6A9
SCHEMBL23200018 0.78 ALDH1A1 (0.72) UBE2MDCUN1D1SLC6A9SLC6A5MAPT
SCHEMBL23699928 0.77 DCUN1D1 (0.61) POLBUBE2MDCUN1D1
SCHEMBL23699904 0.76 DCUN1D1 (0.57) UBE2MDCUN1D1SLC6A9SLC6A5TP53

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 2610/4885MEN1 1651/4885KMT2A 3246/4885

“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.