SCHEMBL23200078

SCHEMBL23200078

O=C(Nc1cccs1)N(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
GFER P55789 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 6/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 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
SCHEMBL9547525 0.79 ATM (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19027675 0.74 KDM4E (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL28926963 0.74 KDM4E (0.59) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL11556038 0.74 KDM4E (0.63) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL11738474 0.74 KDM4E (0.59) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL11422597 0.73 KCNH2 (0.59) ALDH1A1MAPTGFERHSD17B10HPGD
SCHEMBL11254288 0.73 PKM (0.66) ALDH1A1GFERHSD17B10HPGDMEN1
SCHEMBL11407980 0.72 MEN1 (0.65) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL4743375 0.72 MAPT (0.53) ALDH1A1MAPTGFERHSD17B10HPGD
SCHEMBL7658797 0.71 KDM4E (0.46) ALDH1A1MAPTGFERHSD17B10HPGD

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 128/4885GFER 4164/4885

“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.