SCHEMBL25840771

SCHEMBL25840771

O=C(NCS(=O)(=O)O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.65
▸ MEN1 O00255 7/20 0.65
▸ POLB P06746 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MYOC Q99972 1/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NAMPT P43490 1/20 0.52

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
SCHEMBL1177730 0.80 MEN1 (1.00) KMT2AMEN1POLBCA12CA1
SCHEMBL6302157 0.80 MEN1 (1.00) KMT2AMEN1POLBCA12CA1
SCHEMBL10804640 0.80 POLB (0.74) KMT2AMEN1POLBHTTNPC1
SCHEMBL11770425 0.78 KMT2A (0.68) KMT2AMEN1POLBHTTCA12
SCHEMBL3978453 0.78 MEN1 (0.69) KMT2AMEN1POLBHTTNPC1
SCHEMBL5478291 0.78 POLB (0.69) KMT2AMEN1POLBHTTCA12
SCHEMBL23328727 0.78 RAB9A (0.60) KMT2AMEN1POLBCA12CA1
SCHEMBL25840768 0.78 NPC1 (0.60) KMT2AMEN1POLBCA12CA1
SCHEMBL23329075 0.78 SAE1 (0.50) KMT2AMEN1POLBCA12CA1
SCHEMBL30834839 0.77 POLB (0.56) KMT2AMEN1POLBHTTCA12

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-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 — — 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 (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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 KMT2A 2533/4885MEN1 1300/4885POLB 3462/4885

“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.

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