SCHEMBL17778549

SCHEMBL17778549

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CCC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PHGDH O43175 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ IDH2 P48735 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ SLC5A1 P13866 1/20 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
SCHEMBL17778330 0.95 PHGDH (0.40) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL19689741 0.95 PHGDH (0.40) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL17769364 0.87 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL19365675 0.87 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL17618904 0.87 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL17778423 0.86 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL17769511 0.86 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL20720901 0.86 IDH2 (0.39) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL19706590 0.85 KDM4E (0.37) KDM4ETSHRLMNAHSD17B10USP2
SCHEMBL17778584 0.84 MAPK14 (0.35) KDM4ETSHRLMNAHSD17B10USP2

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
WO-2016079711-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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1291/4885TSHR 2548/4885LMNA 3512/4885

“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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