SCHEMBL19865039

SCHEMBL19865039

Cc1nc(C)c(C(C)Cc2cccc(-n3cc(C(C)C)cn3)c2)s1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.32
GRIN1 Q05586 6/20 0.32
GRIN2B Q13224 6/20 0.32
KCNT1 Q5JUK3 1/20 0.31
COPS5 Q92905 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
SCHEMBL20746861 0.77 ROCK2 (0.40) RXRAGRIN1GRIN2BKCNT1
SCHEMBL24908516 0.73 EPHX2 (0.42) RXRAGRIN1GRIN2BKCNT1
SCHEMBL19538977 0.70 RXRA (0.38) RXRAGRIN1GRIN2B
SCHEMBL21064022 0.67 RXRA (0.36) RXRAGRIN1GRIN2B
SCHEMBL21775969 0.67 EPHX2 (0.46) RXRAGRIN1GRIN2BKCNT1
SCHEMBL18878403 0.67 NPC1 (0.47) RXRAGRIN1GRIN2BKCNT1
SCHEMBL2609427 0.67 KDM5B (0.48) RXRAGRIN1GRIN2BKCNT1
SCHEMBL14328380 0.66 NOTUM (0.48) RXRAGRIN1GRIN2B
SCHEMBL12351974 0.66 GAA (0.53)
SCHEMBL13160234 0.66 NOTUM (0.36) RXRAGRIN1GRIN2B

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RXRA 3422/4885GRIN1 4440/4885GRIN2B 4499/4885

“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.