SCHEMBL3248775

SCHEMBL3248775

CC(C)(C)OC(=O)NC1NC(c2cccc(O)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.33
CYP3A4 P08684 3/20 0.33
SCN10A Q9Y5Y9 3/20 0.33
HDAC4 P56524 1/20 0.32
SYK P43405 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL3247384 0.89 BUB1 (0.33) SYK
SCHEMBL3244258 0.88 HDAC4 (0.37) HDAC4SYKOPRM1OPRL1
SCHEMBL3359227 0.86 SYK (0.33) SCN9ACYP3A4SCN10ASYK
SCHEMBL3239041 0.78 BACE1 (0.36) SYKOPRM1OPRL1
SCHEMBL3357376 0.76 CYP3A4 (0.32) SCN9ACYP3A4SCN10A
SCHEMBL3242322 0.75 MEN1 (0.31)
SCHEMBL3248773 0.75 BACE1 (0.37) SYKRXFP1
SCHEMBL3244383 0.74 MEN1 (0.30)
SCHEMBL3249132 0.69 KDM1A (0.38) SYKOPRL1
SCHEMBL3357636 0.67 BACE1 (0.36) SYK

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-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 SCN9A 2804/4885CYP3A4 4679/4885SCN10A 1702/4885

“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.