SCHEMBL17618887

SCHEMBL17618887

N=C(NCCN)c1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCCC2C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ IDH2 P48735 5/20 0.37
▸ SPHK2 Q9NRA0 2/20 0.36
▸ SPHK1 Q9NYA1 2/20 0.36
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34

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
SCHEMBL19670349 1.00 CA2 (0.38) CA2CA9IDH2SPHK2SPHK1
SCHEMBL19365807 1.00 CA2 (0.38) CA2CA9IDH2SPHK2SPHK1
SCHEMBL17618886 0.90 CA2 (0.37) CA2CA9IDH2KDM4EUSP2
SCHEMBL19365570 0.90 CA2 (0.37) CA2CA9IDH2KDM4EUSP2
SCHEMBL16250010 0.88 CA2 (0.42) CA2CA9IDH2ITGB3TRPV1
Hydrochloric Acid SCHEMBL16238734 0.87 CA2 (0.41) CA2CA9IDH2ITGB3TRPV1
SCHEMBL19706278 0.86 CA2 (0.38) CA2CA9IDH2ITGB3ITGA2B
SCHEMBL19699111 0.86 CA2 (0.38) CA2CA9IDH2ITGB3ITGA2B
SCHEMBL19706276 0.86 CA2 (0.38) CA2CA9IDH2ITGB3ITGA2B
SCHEMBL17618885 0.86 KDM4E (0.39) CA2CA9IDH2SPHK2SPHK1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885CA9 4430/4885IDH2 42/4885

“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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