SCHEMBL19003738

SCHEMBL19003738

ICCc1nnc(Nc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GLS O94925 2/20 0.41
SRC P12931 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 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
SCHEMBL23220293 0.90 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL23220337 0.86 GLS (0.54) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL23220309 0.86 GLS (0.54) NPC1RAB9ASMN1; SMN2GSK3BGLS
SCHEMBL19003801 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL19003798 0.85 GLS (0.55) NPC1RAB9ASMN1; SMN2GSK3BGLS
SCHEMBL23220326 0.83 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL28568230 0.83 RAB9A (0.65) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL23220320 0.82 KMT2A (0.57) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1
SCHEMBL23220247 0.82 GLS (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL19003739 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2GSK3BALDH1A1

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-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity HANGZHOU JENNIFER BIOTECH CO LTD (CN) 2021-04-13 US disclosed
WO-2017101793-A1 1, 3, 4-SELENADIAZOLE COMPOUNDS WITH PHARMACOLOGICAL ACTIVITY HANGZHOU JENNIFER BIOTECH CO., LTD. (CN) 2017-06-22 WO 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-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity GPX4, GPX1, SELENOI NPC1 3453/4885RAB9A 4370/4885SMN1; SMN2 2905/4885

“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.