SCHEMBL24029486

SCHEMBL24029486

N#Cc1cccc2c1CC1OC21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TRPA1 O75762 2/20 0.34
ADRA1A P35348 2/20 0.34
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TSHR P16473 1/20 0.32
NOTUM Q6P988 1/20 0.31
OPRL1 P41146 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL12362682 0.73 CHRNB2 (0.44) DRD2HTR2CHTR2B
SCHEMBL21079230 0.73 KDM4E (0.40) KDM4EALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL11452212 0.73 TRPM5 (0.40) ADRA1AHTR2CHTR2BNOTUM
SCHEMBL7919137 0.73 KDM4E (0.40) KDM4EALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL13457936 0.73 ACHE (0.38) ALDH1A1SLC6A4SLC6A2SLC6A3ADRA1A
SCHEMBL11104256 0.69 HTR1A (0.39)
SCHEMBL11349527 0.68 HTR2A (0.35) DRD2HTR2CHTR2BTSHRNOTUM
SCHEMBL25954921 0.68 NOTUM (0.36) KDM4EALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL5916878 0.67 MAPT (0.46) KDM4EALDH1A1TSHR
Benzonitrile SCHEMBL8546884 0.67 TSHR (0.47) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 US disclosed
WO-2021229583-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2021-11-18 WO 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-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLI1, SHH, GLI2 KDM4E 1104/4885ALDH1A1 992/4885SLC6A4 2544/4885

“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.