SCHEMBL30745677

SCHEMBL30745677

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC2A1 P11166 2/20 0.44
NPY5R Q15761 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MECP2 P51608 1/20 0.39
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
MBD2 Q9UBB5 1/20 0.39

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
SCHEMBL24358209 1.00 TRPV4 (0.45) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL24357980 0.90 GAA (0.53) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL30745716 0.90 GAA (0.53) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL24358218 0.84 GAA (0.63) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL30745708 0.84 GAA (0.63) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL27074002 0.84 TRPV4 (0.47) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL27039731 0.84 SLC2A1 (0.61) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL30745699 0.84 SLC2A1 (0.61) TRPV4GAAALDH1A1TDP1SLC2A1
SCHEMBL24357977 0.83 NPC1 (0.42) GAAALDH1A1TDP1SLC2A1NPY5R
SCHEMBL30745706 0.83 NPC1 (0.42) GAAALDH1A1TDP1SLC2A1NPY5R

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 TRPV4 641/4885GAA 1465/4885ALDH1A1 717/4885

“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.