SCHEMBL26812944

SCHEMBL26812944

CC(C)C1=Nc2ccccc2CS1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ACHE P22303 3/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL22782149 0.75 NPC1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL11706723 0.72 NPC1 (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3022267 0.71 KMT2A (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3703843 0.71 NPC1 (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1101901 0.67 HRH4 (0.40) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5729334 0.66 NPC1 (0.46) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL13816110 0.65 NOS3 (0.52) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1255973 0.65
SCHEMBL13150862 0.64 SIGMAR1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11770529 0.64 RAB9A (1.00) NPC1RAB9AKMT2AMEN1POLB

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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NPC1 263/4885RAB9A 2049/4885KMT2A 4643/4885

“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.