SCHEMBL17768097

SCHEMBL17768097

CC(C)(CO)COc1cncc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RPS6KB1 P23443 6/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ KMO O15229 1/20 0.32

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
SCHEMBL19706655 1.00 KDM1A (0.34) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL17778738 0.91 LIPG (0.36) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL19689650 0.90 GPR52 (0.35) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL17778837 0.89 ALDH1A1 (0.35) RPS6KB1NPY2RMAPTALDH1A1AKT1
SCHEMBL19670287 0.89 PHGDH (0.38) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL19689789 0.89 CA2 (0.36) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL16754334 0.88 RAF1 (0.36) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL16754361 0.88 RAF1 (0.36) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL16754360 0.88 RAF1 (0.36) KDM1AMAOAMAOBRPS6KB1LIPG
SCHEMBL17778685 0.88 RPS6KB1 (0.33) KDM1AMAOAMAOBRPS6KB1LIPG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 903/4885MAOA 1153/4885MAOB 655/4885

“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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