SCHEMBL3450757

SCHEMBL3450757

COc1cc(C)cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(C)(=O)=O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.42
SCN9A Q15858 13/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3450528 0.96 SCN9A (0.39) SYKSCN9A
SCHEMBL3450524 0.96 SYK (0.43) SYKSCN9ANPC1MAPT
SCHEMBL3450731 0.93 SCN9A (0.40) SCN9A
SCHEMBL3449324 0.92 SCN9A (0.42) SYKSCN9A
SCHEMBL3375703 0.91 SYK (0.40) SYKNPC1MAPT
SCHEMBL3450201 0.90 SYK (0.41) SYKNPC1MAPT
SCHEMBL3376264 0.90 SYK (0.46) SYK
SCHEMBL3449778 0.89 SYK (0.40) SYKNPC1MAPT
SCHEMBL3447965 0.89 NPC1 (0.39) SYKSCN9ANPC1MAPT
SCHEMBL3448548 0.89 TYRO3 (0.37) SCN9A

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SYK 804/4885SCN9A 3206/4885NPC1 603/4885

“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.