SCHEMBL17624582

SCHEMBL17624582

C=NCc1cc(N=C)cc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.35
▸ FGFR4 P22455 1/20 0.32
▸ DEGS1 O15121 2/20 0.31
▸ LPL P06858 1/20 0.30
▸ LIPC P11150 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL19670516 0.93 SCD (0.38) SCDFGFR4DEGS1LPLLIPC
SCHEMBL17618900 0.86 SCD (0.34) SCDFGFR4DEGS1
SCHEMBL19669073 0.83 SCD (0.37) SCDFGFR4DEGS1LPLLIPC
SCHEMBL17618391 0.81 SCD (0.41) SCDDEGS1
SCHEMBL17618519 0.80 SCD (0.43) SCDDEGS1
SCHEMBL17618376 0.79 GRM5 (0.39) SCD
SCHEMBL17618513 0.79 HCRTR1 (0.42) SCD
SCHEMBL17618541 0.79 SCD (0.38) SCDFGFR4DEGS1LPLLIPC
SCHEMBL17618499 0.79 GRM5 (0.39) SCD
SCHEMBL17618590 0.78 TRPV1 (0.36) SCDFGFR4DEGS1

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCD 928/4885FGFR4 2275/4885DEGS1 4466/4885

“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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