SCHEMBL23200043

SCHEMBL23200043

O=C(Nc1ccc2c(c1)CCC2)N(Cc1cccs1)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL23200018 0.84 ALDH1A1 (0.72) ALDH1A1MAPTLMNAUBE2MDCUN1D1
SCHEMBL23200239 0.83 ALDH1A1 (1.00) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL23200122 0.82 ALDH1A1 (0.80) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL23199939 0.82 ALDH1A1 (0.80) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL23199929 0.82 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ALMNAUBE2M
SCHEMBL23200062 0.82 ALDH1A1 (0.76) ALDH1A1MAPTUBE2MDCUN1D1SMN1; SMN2
SCHEMBL23199988 0.81 ALDH1A1 (0.79) ALDH1A1MAPTLMNAUBE2MDCUN1D1
SCHEMBL23200149 0.81 ALDH1A1 (0.82) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL23200234 0.81 ALDH1A1 (0.77) ALDH1A1MAPTLMNAUBE2MDCUN1D1
SCHEMBL23200158 0.81 ALDH1A1 (0.77) ALDH1A1MAPTNPC1RAB9ALMNA

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 606/4885MAPT 128/4885NPC1 3173/4885

“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.