SCHEMBL16249985

SCHEMBL16249985

O=C(Nc1ccc(CNCl)cc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 7/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ CTNNB1 P35222 4/20 0.37
▸ TCF7L2 Q9NQB0 4/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CCR1 P32246 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
SCHEMBL16754369 0.92 IDH2 (0.41) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL16250010 0.92 CA2 (0.42) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL17618885 0.91 KDM4E (0.39) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL16249987 0.91 KDM4E (0.41) IDH2KDM4EOPRM1OPRD1CA2
Hydrochloric Acid SCHEMBL16238734 0.91 CA2 (0.41) IDH2KDM4EOPRM1OPRD1CA2
Trifluoroacetic Acid SCHEMBL16238731 0.89 KDM4E (0.40) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL16250024 0.89 NAMPT (0.41) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL19669054 0.89 NAMPT (0.41) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL19670369 0.89 NAMPT (0.41) IDH2KDM4EOPRM1OPRD1CA2
SCHEMBL16249947 0.88 IDH2 (0.42) IDH2KDM4ECA2CA9USP2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885OPRM1 4254/4885

“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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