SCHEMBL19706482

SCHEMBL19706482

CC(C)c1cc(CC(C)c2ccnc(C(F)(F)F)c2)nc(N(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.37
▸ CBLB Q13191 1/20 0.35
▸ RXRA P19793 6/20 0.34
▸ GRIN1 Q05586 6/20 0.34
▸ GRIN2B Q13224 6/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HRH4 Q9H3N8 5/20 0.33
▸ LOX P28300 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL26791964 0.76 LOXL2 (0.35) CBLBRXRAGRIN1GRIN2BLOXL2
SCHEMBL25499879 0.73 HSP90AA1 (0.35) CBLBCYP3A4TSHRHRH4CYP2D6
SCHEMBL179263 0.73 LOXL2 (0.47) LOXL2LOXKDM5B
SCHEMBL17981924 0.72 LOXL2 (0.45) CBLBLOXL2CYP3A4LOX
SCHEMBL20674836 0.72 HSP90AA1 (0.34) CBLBRXRAGRIN1GRIN2BLOXL2
SCHEMBL18855226 0.71 LOXL2 (0.46) CBLBRXRAGRIN1GRIN2BLOXL2
SCHEMBL18762885 0.70 CASR (0.38) CYP3A4TSHRCYP1A2ALOX15MAPK1
SCHEMBL18672470 0.69 LOXL2 (0.44) CBLBRXRAGRIN1GRIN2BLOXL2
SCHEMBL25987180 0.67 CYP3A4 (0.35) CBLBCYP3A4TSHRCYP2D6CRHBP
SCHEMBL26774132 0.66 LOXL2 (0.41) CBLBRXRAGRIN1GRIN2BLOXL2

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MDM2 1466/4885CBLB 4471/4885RXRA 3656/4885

“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.

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