SCHEMBL23328402

SCHEMBL23328402

O=C(NCS(=O)(=O)O)Nc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.56
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 2/20 0.54
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
IMPDH2 P12268 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL23328367 0.79 ACP1 (0.59) EPHX1RAB9ANPC1CA2CA12
SCHEMBL13480580 0.75 EPHX1 (0.69) EPHX1MAPTRAB9ANPC1CA2
SCHEMBL9547503 0.75 RAB9A (0.89) EPHX1MAPTRAB9ANPC1CA2
SCHEMBL8081955 0.74 ALDH1A1 (0.58) MAPTRAB9ANPC1CA2CA12
SCHEMBL23328727 0.73 RAB9A (0.60) EPHX1MAPTRAB9ACA2CA12
SCHEMBL23329075 0.73 SAE1 (0.50) MAPTNPC1CA2CA12CA1
SCHEMBL25840768 0.73 NPC1 (0.60) RAB9ANPC1CA2CA12CA1
SCHEMBL4902274 0.73 EPHX1 (0.66) EPHX1MAPTRAB9ANPC1CA2
SCHEMBL14423982 0.73 EPHX1 (0.79) EPHX1MAPTRAB9ANPC1CA2
SCHEMBL23328366 0.73 RAB9A (0.64) MAPTRAB9ANPC1CA2CA12

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 EPHX1 2158/4885MAPT 2612/4885RAB9A 1656/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 EPHX1 2158/4885MAPT 2612/4885RAB9A 1656/4885

“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.