SCHEMBL16776196

SCHEMBL16776196

O=C(Nc1cncc(F)c1)N1CCCNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HTR2C P28335 5/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ FYN P06241 1/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ PHGDH O43175 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL16775826 0.86 CA2 (0.40) CA2CA9HTR2CHTR2AFYN
SCHEMBL16785651 0.84 CA2 (0.39) CA2CA9HTR2CHTR2AFYN
SCHEMBL12654515 0.84 FGFR4 (0.45) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL16776333 0.80 HTR2C (0.36) CA2CA9HTR2CHTR2AFYN
SCHEMBL12959016 0.80 FGFR4 (0.46) CA2CA9HTR2CHTR2AFYN
SCHEMBL16785649 0.78 CA2 (0.39) CA2CA9HTR2CHTR2AFYN
SCHEMBL1820744 0.77 FGFR4 (0.45) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL16775829 0.77 CA2 (0.41) CA2CA9HTR2CHTR2AFYN
SCHEMBL16238347 0.77 MEN1 (0.39) CA2CA9KITRAF1BRAF
SCHEMBL16775824 0.77 HTR2A (0.50) CA2CA9HTR2CHTR2AHTR2B

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 CA2 4253/4885CA9 4248/4885HTR2C 4651/4885

“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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