SCHEMBL16776292

SCHEMBL16776292

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(-n2cncn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ SLC5A1 P13866 4/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL16776479 0.86 SLC5A1 (0.41) SMN1; SMN2FYNSLC5A1CA2CA9
SCHEMBL16776472 0.86 CA2 (0.41) FYNSLC5A1CA2CA9RAF1
SCHEMBL16776423 0.85 SMN1; SMN2 (0.48) SMN1; SMN2FYNCA2CA9NPC1
SCHEMBL16776291 0.85 ABL1 (0.35) SMN1; SMN2S1PR1SLC5A1
SCHEMBL16776434 0.84 PTGER3 (0.39) KITFYNSLC5A1CA2CA9
SCHEMBL16785534 0.83 SLC5A1 (0.43) FYNSLC5A1CA2CA9RAF1
SCHEMBL16776419 0.82 BRAF (0.40) SMN1; SMN2FYNCA2CA9NPC1
SCHEMBL16776355 0.82 CA2 (0.41) FYNSLC5A1CA2CA9JAK2
SCHEMBL16776294 0.82 RHOA (0.48) CYP1A2CYP3A4CYP2C19FYNNPC1
SCHEMBL16776417 0.81 SMN1; SMN2 (0.38) SMN1; SMN2FYNCA2CA9NPC1

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 SMN1; SMN2 2122/4885CYP1A2 3492/4885CYP3A4 2788/4885

“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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