SCHEMBL30745706

SCHEMBL30745706

CCOc1ccc(-c2csc(Nc3ncc(C(F)(F)F)cc3C)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 5/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SLC2A1 P11166 1/20 0.42
AGTR1 P30556 1/20 0.42
OPRK1 P41145 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 8/20 0.41
MEN1 O00255 7/20 0.41
ALOX5 P09917 2/20 0.41
GAA P10253 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL24357977 1.00 NPC1 (0.42) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL27039893 0.88 NPC1 (0.43) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL30745721 0.88 NPC1 (0.43) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL24357996 0.87 NPC1 (0.45) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL30745677 0.83 TRPV4 (0.45) NPC1KMT2AMAPTKDM4ESLC2A1
SCHEMBL24358209 0.83 TRPV4 (0.45) NPC1KMT2AMAPTKDM4ESLC2A1
SCHEMBL24358267 0.81 NPC1 (0.65) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL30745719 0.81 NPC1 (0.65) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL24357979 0.80 NPC1 (0.46) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL24358222 0.80 NPC1 (0.48) NPC1KMT2AMAPTNFKB1NFKB2

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 NPC1 2626/4885KMT2A 1911/4885MAPT 521/4885

“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.