SCHEMBL23328882

SCHEMBL23328882

COS(=O)(=O)CNC(=O)Nc1ccc2ncsc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NTRK1 P04629 3/20 0.42
NTRK2 Q16620 3/20 0.42
PRMT3 O60678 1/20 0.41
ROCK1 Q13464 1/20 0.41
GFER P55789 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
SCHEMBL23328886 0.87 KEAP1 (0.51) RAB9ANPC1MEN1KMT2AKEAP1
SCHEMBL3784420 0.80 RAB9A (0.49) RAB9ANPC1MEN1KMT2AKEAP1
SCHEMBL3781026 0.77 KEAP1 (0.53) RAB9ANPC1MEN1KMT2AKEAP1
Hydrochloric Acid SCHEMBL5548005 0.76 NPC1 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8863163 0.74 LDHA (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3793730 0.74 NPC1 (0.47) RAB9ANPC1MEN1KMT2AKEAP1
SCHEMBL23329072 0.74 CA12 (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL411193 0.73 RAB9A (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22341606 0.72 NPC1 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4921500 0.72 NPC1 (0.71) RAB9ANPC1MEN1KMT2ASMN1; 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 2 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-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 RAB9A 1656/4885NPC1 407/4885MEN1 1300/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 RAB9A 1656/4885NPC1 407/4885MEN1 1300/4885

“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.