SCHEMBL19365260

SCHEMBL19365260

COc1nccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3C3CCCC32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.39
▸ KDM1A O60341 6/20 0.38
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ SYK P43405 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
SCHEMBL19365343 0.89 NPC1 (0.40) KDM1AMAOBMAOAF2RL3JAK2
SCHEMBL19365332 0.86 KDR (0.40) KDM1AMAOBMAOAF2RL3MAPT
SCHEMBL19365318 0.85 ALOX15 (0.46) KMOKDM1AMAOBMAOAJAK2
SCHEMBL19365324 0.85 MPL (0.44) KMOKDM1AMAOBMAOACA2
SCHEMBL19365576 0.85 KDM1A (0.41) KMOKDM1AMAOBMAOAHCRTR1
SCHEMBL19365470 0.83 KDM1A (0.40) KMOKDM1AMAOBMAOAJAK2
SCHEMBL19365715 0.82 KDM1A (0.42) KDM1AMAOBMAOAJAK2MAPT
SCHEMBL19365345 0.82 KDM1A (0.39) KMOKDM1AMAOBMAOAHCRTR1
SCHEMBL19365257 0.82 PHGDH (0.46) KDM1AMAOBMAOAJAK2MAPT
SCHEMBL16775962 0.82 CA2 (0.40) KMOKDM1AMAOBMAOACA2

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 KMO 768/4885KDM1A 859/4885MAOB 985/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMO 768/4885KDM1A 859/4885MAOB 985/4885

“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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