SCHEMBL29326369

SCHEMBL29326369

Cc1c(-c2ccccc2Cl)sc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MPI P34949 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 3/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 2/20 0.34
BTK Q06187 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27378157 0.88 TRPC5 (0.36) TRPC5MAPTALDH1A1KMT2AHTT
SCHEMBL29326371 0.83 MAPK13 (0.40) TRPC5HCAR1GSK3AGSK3BCYP1A1
SCHEMBL29326238 0.78 CYP1A1 (0.48) GSK3AGSK3BCYP1A1CYP1B1ALDH1A1
SCHEMBL29326380 0.77 KDM4E (0.40) HCAR1GSK3AGSK3BCYP1A1CYP1B1
SCHEMBL29326196 0.73 CYP1A1 (0.44) HCAR1GSK3AGSK3BCYP1A1CYP1B1
SCHEMBL29326162 0.72 CYP1A1 (0.53) GSK3AGSK3BCYP1A1CYP1B1ALDH1A1
SCHEMBL29326391 0.72 KDM4E (0.45) HCAR1CYP1A1CYP1B1ALDH1A1HTT
SCHEMBL27378158 0.72 MAPK13 (0.38) TRPC5ALDH1A1KMT2AKDM4EMAPK13
SCHEMBL29326382 0.70 TDP1 (0.43) CYP1A1CYP1B1MEN1KMT2AHTT
SCHEMBL29326395 0.70 TDP1 (0.43) CYP1A1CYP1B1HTTITGA4ITGB7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TRPC5 3507/4885HCAR1 4317/4885GSK3A 4182/4885

“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.