SCHEMBL3085253

SCHEMBL3085253

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CNCCN3CCOCC3)n(CC(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
NR1I2 O75469 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASR P41180 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF2AK2 P19525 1/20 0.37
CD274 Q9NZQ7 2/20 0.37
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL3083763 0.91 NR1I2 (0.37) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL3083490 0.86 PRKCA (0.45) SCN9ANR1I2ALDH1A1NPSR1CD274
SCHEMBL3095978 0.80 PRKCA (0.44) SCN9ANR1I2L3MBTL1MEN1KMT2A
SCHEMBL4206783 0.78 PRKCA (0.40) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL394814 0.78 SCN9A (0.43) SCN9AALDH1A1L3MBTL1NPSR1PRKCA
SCHEMBL3090937 0.77 NR1I2 (0.47) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL3093385 0.77 PRKCA (0.42) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL3084086 0.77 PRKCA (0.41) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL3096329 0.76 PRKCA (0.42) SCN9ANR1I2ATMALDH1A1SMN1; SMN2
SCHEMBL3092482 0.75 PRKCA (0.40) SCN9ANR1I2ATMALDH1A1SMN1; SMN2

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 SCN9A 3788/4885NR1I2 144/4885ATM 3330/4885

“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.