SCHEMBL23200047

SCHEMBL23200047

O=C(Nc1cccnc1)N(Cc1cccs1)C1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.47
PTBP1 P26599 1/20 0.47
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
OPRK1 P41145 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23200149 0.89 ALDH1A1 (0.82) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL23200239 0.86 ALDH1A1 (1.00) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL9256216 0.82 DCUN1D1 (0.56) ALDH1A1SMN1; SMN2POLBUBE2MDCUN1D1
SCHEMBL23199939 0.81 ALDH1A1 (0.80) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL9593929 0.81 DCUN1D1 (0.58) ALDH1A1SMN1; SMN2POLBUBE2MDCUN1D1
SCHEMBL23200122 0.81 ALDH1A1 (0.80) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL23200243 0.80 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL23200062 0.80 ALDH1A1 (0.76) ALDH1A1NPSR1SMN1; SMN2MAPTGAA
SCHEMBL23199988 0.80 ALDH1A1 (0.79) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL23200234 0.79 ALDH1A1 (0.77) ALDH1A1NPSR1SMN1; SMN2LMNAHTT

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 606/4885NPSR1 786/4885SMN1; SMN2 3779/4885

“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.