SCHEMBL30745708

SCHEMBL30745708

CCOc1ccc(-c2csc(Nc3ccc(C)cn3)n2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
SLC2A1 P11166 2/20 0.62
RAB9A P51151 10/20 0.58
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
NPC1 O15118 9/20 0.58
MAPT P10636 5/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
POLB P06746 2/20 0.53
GFER P55789 2/20 0.53
PKM P14618 1/20 0.53
MPI P34949 1/20 0.53
HTT P42858 1/20 0.53
TRPV4 Q9HBA0 2/20 0.51

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
SCHEMBL24358218 1.00 GAA (0.63) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL30745716 0.94 GAA (0.53) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL24357980 0.94 GAA (0.53) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL27074002 0.87 TRPV4 (0.47) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL30745699 0.87 SLC2A1 (0.61) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL27039731 0.87 SLC2A1 (0.61) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL24358209 0.84 TRPV4 (0.45) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL30745677 0.84 TRPV4 (0.45) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL24357997 0.84 KCNN1 (0.63) GAAALDH1A1TDP1SLC2A1RAB9A
SCHEMBL30745762 0.84 KCNN1 (0.63) GAAALDH1A1TDP1SLC2A1RAB9A

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA GAA 1465/4885ALDH1A1 717/4885TDP1 4176/4885

“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.