SCHEMBL4629368

SCHEMBL4629368

NC(=Nc1ccc(OCc2ccccc2)cc1)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.59
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ CTSD P07339 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ GID4 Q8IVV7 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 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
SCHEMBL4628743 0.87 SCN2A (0.67) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4628807 0.85 SCN2A (0.66) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4629283 0.84 KMT2A (0.49) SCN2ANOS1CTSDPRSS1PRSS2
SCHEMBL4627497 0.83 SCN2A (0.66) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4628983 0.83 SCN2A (0.62) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4628694 0.79 SCN2A (0.84) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4629225 0.79 SCN2A (0.80) SCN2APARP10NPC1ALDH1A1RAB9A
SCHEMBL4628715 0.78 SCN2A (0.72) SCN2ANOS3NOS1NOS2PARP10
SCHEMBL4627487 0.78 SCN2A (0.61) SCN2ANOS3NOS1NOS2NPC1
SCHEMBL4627466 0.76 CTSD (0.60) SCN2ACTSDNPC1ALDH1A1

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 — — EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 — — US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 — — 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN2A 1613/4885NOS3 3254/4885NOS1 3718/4885

“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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