SCHEMBL16775897

SCHEMBL16775897

Cc1nn(C)cc1NC(=O)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FYN P06241 2/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SLC5A1 P13866 3/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ ESYT2 A0FGR8 1/20 0.35
▸ HACL2 A1L0T0 1/20 0.35
▸ NBAS A2RRP1 1/20 0.35
▸ GTPBP10 A4D1E9 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
SCHEMBL16775852 0.85 NTRK1 (0.41) FYNCSF1RKITCA2CA9
SCHEMBL16775831 0.85 KCNH2 (0.41) ADORA2AKDM1AFYNCA2CA9
SCHEMBL16775828 0.85 PIKFYVE (0.37) DHODHADORA2AKDM1AFYNKIT
SCHEMBL16776322 0.84 NPC1 (0.44) MAPTFYNKITCA2CA9
SCHEMBL16775877 0.84 LMNA (0.41) DHODHADORA2AFYNCA2CA9
SCHEMBL16775844 0.83 NTRK1 (0.40) FYNCSF1RKITCA2CA9
SCHEMBL16775851 0.83 SMN1; SMN2 (0.37) ADORA2AKDM1AALDH1A1MAPTFYN
SCHEMBL16775820 0.83 PHGDH (0.47) ADORA2AKMOPHGDH
SCHEMBL16775893 0.83 MAPT (0.46) DHODHADORA2AKDM1AMAPTFYN
SCHEMBL16775840 0.82 PIKFYVE (0.37) DHODHADORA2AFYNKITCA2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DHODH 975/4885ADORA2A 2325/4885KDM1A 859/4885

“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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