SCHEMBL19365333

SCHEMBL19365333

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL19365474 0.91 MAPT (0.42) KDM1AJAK2MAPTTRPV1MAOB
SCHEMBL19365711 0.88 KDM1A (0.42) KDM1AJAK2MAPTTRPV1MAOB
SCHEMBL19365328 0.85 MAPT (0.42) KDM1AJAK2MAPTTRPV1MAOB
SCHEMBL19365345 0.85 KDM1A (0.39) KDM1AJAK2TRPV1MAOBMAOA
SCHEMBL19365475 0.84 KDM1A (0.39) KDM1AJAK2MAPTTRPV1MAOB
SCHEMBL19365836 0.84 MAPT (0.49) KDM1AJAK2MAPTTRPV1MEN1
SCHEMBL19365318 0.83 ALOX15 (0.46) KDM1AJAK2MAPTTRPV1MAOB
SCHEMBL19670602 0.83 SMN1; SMN2 (0.37) JAK2MAPTTRPV1MEN1LMNA
SCHEMBL19365597 0.82 KDM1A (0.41) KDM1AJAK2MAPTMAOBMAOA
SCHEMBL19365324 0.82 MPL (0.44) KDM1AJAK2MAPTTRPV1MAOB

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 4 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 KDM1A 859/4885JAK2 2392/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM1A 859/4885JAK2 2392/4885MAPT 267/4885

“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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