SCHEMBL6356136

SCHEMBL6356136

CCOC(=O)c1c(C)nc2c(NCc3c(C)cccc3COC)cccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
CYP2C9 P11712 9/20 0.59
CYP3A4 P08684 8/20 0.59
CYP2D6 P10635 5/20 0.59
CYP1A2 P05177 5/20 0.59
CYP2C19 P33261 4/20 0.59
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 3/20 0.47
HCRTR1 O43613 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43

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
SCHEMBL6433684 0.90 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7495170 0.85 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6419022 0.83 CYP3A4 (0.77) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL7012733 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7496961 0.81 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7494111 0.80 CYP3A4 (0.62) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7009452 0.79 CYP3A4 (0.70) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6216038 0.78 CYP3A4 (0.78) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6356150 0.77 CYP3A4 (0.68) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6350950 0.77 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 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 (2 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 SMN1; SMN2 4309/4885CYP2C9 3074/4885CYP3A4 2404/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 SMN1; SMN2 4396/4885CYP2C9 3139/4885CYP3A4 2475/4885

“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.