SCHEMBL6947504

SCHEMBL6947504

N#CC1CN1C(=O)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.52
▸ CA1 P00915 14/20 0.52
▸ CA12 O43570 14/20 0.52
▸ CA9 Q16790 14/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ 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
SCHEMBL6949076 0.80 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2MAPTALOX12
SCHEMBL6946115 0.80 NPC1 (0.49) SMN1; SMN2
SCHEMBL11381022 0.79 CA2 (0.52) CA2CA1CA12CA9
SCHEMBL6954818 0.78 GAA (0.53) KMT2AALDH1A1MAPTNPSR1
SCHEMBL6957288 0.74 MEN1 (0.52) CA2CA9KMT2AALDH1A1SMN1; SMN2
SCHEMBL11382494 0.73 NPC1 (0.43) CA2CA1CA12CA9KMT2A
SCHEMBL6949514 0.72 RAB9A (0.57) KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11371680 0.71 DPP4 (0.33) —
SCHEMBL11371771 0.70 FLT1 (0.47) CA2CA1KMT2AALDH1A1
SCHEMBL11381770 0.70 ALDH1A1 (0.48) CA2CA1ALDH1A1MAPTALOX12

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
EP-1027041-B1 NOVEL CYANOAZIRIDINES FOR TREATING CANCER AMPLIMED INC (US) 2003-10-22 — — EP disclosed
US-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer VALLEY VENTURES III, L.P. 2003-07-10 — — US disclosed
US-6297230-B1 N-CARBAMOYL-SUBSTITUTED AMPLIMED, INC. 2001-10-02 — — 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-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer ABHD16A, PNLIP, LIPA CA2 4848/4885CA1 4833/4885CA12 4232/4885

“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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