SCHEMBL16776297

SCHEMBL16776297

O=C(Nc1cccc(-c2cnco2)n1)N1CCCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.37
▸ KARS1 Q15046 2/20 0.36
▸ KMO O15229 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BRAF P15056 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ FGFR4 P22455 3/20 0.33
▸ FYN P06241 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL16776298 0.88 RHOA (0.39) RHOAKARS1KMOCA2CA9
SCHEMBL16775875 0.87 RHOA (0.46) RHOACA2CA9BRAFFYN
SCHEMBL16776296 0.84 RHOA (0.36) RHOAKARS1KMOBRAFADORA2A
SCHEMBL16775833 0.84 ALOX15 (0.46) KARS1KMOCA2CA9BRAF
SCHEMBL16776473 0.84 FGFR4 (0.42) KARS1KMOCA2CA9CPT2
SCHEMBL16775832 0.83 FAAH (0.40) KARS1KMOCA2CA9ADORA2A
SCHEMBL16775834 0.82 MPL (0.44) KARS1KMOCA2CA9BRAF
SCHEMBL16775841 0.82 CA2 (0.41) KMOCA2CA9BRAFKDR
SCHEMBL16776476 0.82 CA2 (0.43) KMOCA2CA9BRAFKDR
SCHEMBL16776443 0.82 RHOA (0.36) RHOACA2CA9BRAFFYN

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 RHOA 4798/4885KARS1 1760/4885KMO 768/4885

“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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