SCHEMBL17778734

SCHEMBL17778734

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ GPR52 Q9Y2T5 2/20 0.40
▸ IDH2 P48735 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMO O15229 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ELANE P08246 2/20 0.36

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 0.95 ITGB2 (0.42) KCNH2GPR52IDH2KMT2ATSHR
SCHEMBL19699710 0.95 ITGB2 (0.42) KCNH2GPR52IDH2KMT2ATSHR
SCHEMBL17768260 0.92 KMT2A (0.40) IDH2KMT2ATSHRLIPGRPS6KB1
SCHEMBL19689756 0.90 KMT2A (0.41) IDH2KMT2ATSHRKMOMEN1
SCHEMBL16238924 0.90 TP53 (0.42) IDH2KMT2ATSHRLIPG
SCHEMBL19346987 0.90 CASP6 (0.41) IDH2KMT2ATSHRLIPGMEN1
SCHEMBL19346988 0.90 CASP6 (0.41) IDH2KMT2ATSHRLIPGMEN1
Hydrochloric Acid SCHEMBL19689854 0.90 KMT2A (0.40) IDH2KMT2ATSHRKMOMEN1
SCHEMBL17618790 0.89 CHRM4 (0.41) IDH2KMT2ATSHRKMORPS6KB1
SCHEMBL17618776 0.89 ASAH1 (0.40) IDH2KMT2ATSHR

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 4 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
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 KCNH2 4064/4885GPR52 3910/4885IDH2 34/4885

“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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