SCHEMBL17618749

SCHEMBL17618749

COc1cc(NC(=O)N2c3nc(-c4cncc(Cl)c4)ccc3N3CCC2CC3)nc(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL16776278 0.91 HCRTR1 (0.37) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL17618772 0.91 NPC1 (0.38) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL16776250 0.90 P2RY1 (0.40) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL17618750 0.89 FAAH (0.39) HCRTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL17618423 0.85 P2RY1 (0.39) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL17618529 0.84 FAAH (0.38) HCRTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL17618748 0.82 MAPT (0.37) RAB9AHCRTR2POLBABL1
SCHEMBL16775971 0.81 NPC1 (0.39) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL17618761 0.81 CNR2 (0.40) HCRTR2ALDH1A1PDE4AIRAK4
SCHEMBL17618760 0.81 FAAH (0.35) HCRTR2IRAK4EGFRABL1

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 9 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-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-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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3776/4885RAB9A 1244/4885TP53 349/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3380/4885RAB9A 1471/4885TP53 349/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NPC1 3380/4885RAB9A 1471/4885TP53 349/4885

“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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