SCHEMBL16776366

SCHEMBL16776366

Cc1cncc(NC(=O)N2C[C@H](C)CNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ SLC5A1 P13866 4/20 0.38
▸ AR P10275 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PRMT5 O14744 4/20 0.37
▸ WDR77 Q9BQA1 4/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ FYN P06241 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
SCHEMBL16776360 0.91 HTR2C (0.46) HTR2AHTR2C
SCHEMBL16776371 0.88 BRAF (0.38) PRMT5WDR77
SCHEMBL16776361 0.84 BRAF (0.44) SLC5A1CA2CA9RAF1HTR2A
SCHEMBL16776365 0.83 MPL (0.43) SLC5A1ARKMOCA2CA9
SCHEMBL16776347 0.80 ALOX15 (0.38) SLC5A1
SCHEMBL16776357 0.80 BRAF (0.40) SLC5A1KMOCA2CA9
SCHEMBL16776359 0.79 NPC1 (0.38) SLC5A1KMOCA2CA9
SCHEMBL16775914 0.79 CPT2 (0.38) KMOKDM1A
SCHEMBL1820744 0.79 FGFR4 (0.45) PHGDHSCN10ACA2CA9DHODH
SCHEMBL16775826 0.78 CA2 (0.40) SLC5A1KMOCA2CA9RAF1

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 PHGDH 1138/4885SCN10A 3878/4885SLC5A1 1202/4885

“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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