SCHEMBL23328886

SCHEMBL23328886

O=C(NCS(=O)(=O)O)Nc1ccc2ncsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL23328882 0.87 RAB9A (0.48) KEAP1NFE2L2NPC1RAB9AKMT2A
SCHEMBL3784420 0.78 RAB9A (0.49) KEAP1NFE2L2NPC1RAB9AKMT2A
SCHEMBL22341606 0.77 NPC1 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3793730 0.76 NPC1 (0.47) KEAP1NFE2L2NPC1RAB9AKMT2A
SCHEMBL8863163 0.76 LDHA (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL25854530 0.76 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14697393 0.75 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12354787 0.75 NTRK1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL411193 0.75 RAB9A (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5438096 0.75 PRMT3 (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 US disclosed
US-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 US disclosed
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS KENT INNOVATION & ENTERPRISE, UNIVERSITY OF KENT (GB) 2021-05-06 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 (2 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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 KEAP1 329/4885NFE2L2 562/4885NPC1 407/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 KEAP1 329/4885NFE2L2 562/4885NPC1 407/4885

“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.