SCHEMBL19706157

SCHEMBL19706157

O=C(Nc1nnc(-c2ccccc2)o1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCC21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 0.52
▸ ADCY8 P40145 5/20 0.44
▸ HTT P42858 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ATR Q13535 1/20 0.40
▸ GPR65 Q8IYL9 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ STAT3 P40763 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19365836 0.83 MAPT (0.49) HTTLMNAALDH1A1KDM1AJAK2
SCHEMBL19365413 0.82 ADCY1 (0.50) ADCY1ADCY8HTTKDM4EHSD17B10
SCHEMBL19670189 0.82 ADCY1 (0.50) ADCY1ADCY8HTTKDM4EHSD17B10
SCHEMBL16250000 0.81 ADCY1 (0.49) ADCY1ADCY8HTTKDM4EHSD17B10
SCHEMBL19706075 0.79 KDM1A (0.43) KDM1AJAK2
SCHEMBL19365389 0.79 FYN (0.44) MAPK1KDM1AJAK2KMO
SCHEMBL19365739 0.78 CA2 (0.51) KDM1APTGS2
SCHEMBL19706288 0.77 POLB (0.48) MEN1KMT2A
SCHEMBL19365576 0.77 KDM1A (0.41) ALDH1A1KDM1AJAK2MEN1KMT2A
SCHEMBL19365580 0.77 MAPT (0.43) KDM4EKDM1A

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADCY1 3053/4885ADCY8 1629/4885HTT 260/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ADCY1 3053/4885ADCY8 1629/4885HTT 260/4885

“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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