SCHEMBL3766401

SCHEMBL3766401

O=C(Nc1ccc2ncsc2c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
NTRK1 P04629 5/20 0.47
NTRK2 Q16620 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD11B1 P28845 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42

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
Hydrochloric Acid SCHEMBL5548005 0.79 NPC1 (0.57) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL30554088 0.78 NPC1 (0.51) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL25382759 0.78 NPC1 (0.51) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL14697393 0.76 NPC1 (0.54) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL2030050 0.75 MAPK14 (0.38) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL22341606 0.75 NPC1 (0.58) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL15880590 0.74 MAPT (0.51) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL8863163 0.74 LDHA (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL25854530 0.74 NPC1 (0.55) NPC1RAB9AKMT2AMEN1NTRK1
SCHEMBL411193 0.73 RAB9A (0.57) NPC1RAB9AKMT2AMEN1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 NPC1 1078/4885RAB9A 1416/4885KMT2A 261/4885

“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.