SCHEMBL19699710

SCHEMBL19699710

O=C(NCCCO)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.42
▸ ICAM1 P05362 2/20 0.42
▸ ITGAL P20701 2/20 0.42
▸ IDH2 P48735 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GPR52 Q9Y2T5 2/20 0.36
▸ CTSK P43235 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19689730 1.00 ITGB2 (0.42) ITGB2ICAM1ITGALIDH2KCNH2
SCHEMBL17778734 0.95 KCNH2 (0.42) ITGB2ICAM1ITGALIDH2KCNH2
SCHEMBL19346987 0.92 CASP6 (0.41) ITGB2ICAM1ITGALIDH2KMT2A
SCHEMBL19346988 0.92 CASP6 (0.41) ITGB2ICAM1ITGALIDH2KMT2A
SCHEMBL17768260 0.91 KMT2A (0.40) IDH2KMT2ATSHRITGB3ITGA2B
SCHEMBL17618776 0.90 ASAH1 (0.40) IDH2KMT2ATSHRDRD2DRD3
SCHEMBL17618777 0.90 ASAH1 (0.42) IDH2KMT2ATSHRDRD2DRD3
SCHEMBL17618785 0.89 CHRM4 (0.40) IDH2KCNH2KMT2ATSHRITGB3
SCHEMBL19689756 0.89 KMT2A (0.41) IDH2KMT2ATSHRCASP6MEN1
SCHEMBL16238924 0.89 TP53 (0.42) IDH2KMT2ATSHRLIPG

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 2 patents. 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
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 ITGB2 4536/4885ICAM1 3026/4885ITGAL 4676/4885

“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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