SCHEMBL19542471

SCHEMBL19542471

O=C(NCCCNC(=O)C1CCN(CS(=O)(=O)c2ccc3ccccc3c2)CC1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CAPN1 P07384 2/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ F10 P00742 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CCR4 P51679 2/20 0.42

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
SCHEMBL14570689 0.85 HTR7 (0.43) NPC1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL27996446 0.72 HTT (0.58) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL1938499 0.70 SMN1; SMN2 (0.55) LMNASMN1; SMN2L3MBTL1TGM2MEN1
SCHEMBL12812726 0.70 KMT2A (0.64) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL12812906 0.69 LMNA (0.56) LMNASMN1; SMN2L3MBTL1TGM2MEN1
SCHEMBL1938810 0.69 HTT (0.54) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL1938809 0.69 HTT (0.54) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL5108553 0.68 HTT (0.56) LMNASMN1; SMN2TGM2MEN1KMT2A
SCHEMBL12929518 0.68 F2 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL13222773 0.68 TPSAB1 (0.48) F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — 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-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 NPC1 2037/4885LMNA 3418/4885RAB9A 1344/4885

“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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