SCHEMBL17618468

SCHEMBL17618468

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cccc(OC(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.42
▸ FYN P06241 1/20 0.39
▸ BRAF P15056 3/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ LCLAT1 Q6UWP7 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
SCHEMBL16249983 0.89 RHOA (0.48) RHOAFYNBRAFCCR3MEN1
SCHEMBL16250011 0.89 RHOA (0.48) RHOAFYNBRAFCCR3MEN1
SCHEMBL19865069 0.89 RHOA (0.48) RHOAFYNBRAFCCR3MEN1
SCHEMBL16775765 0.88 RHOA (0.44) RHOABRAFCCR3MEN1NPC1
SCHEMBL17618598 0.87 RHOA (0.43) RHOABRAFCCR3MEN1NPC1
SCHEMBL16775764 0.87 IMPDH2 (0.44) RHOABRAFCCR3NPC1RAB9A
SCHEMBL17618467 0.87 ABL1 (0.47) ABL1NPC1RAB9APDE4APDE4B
SCHEMBL19365359 0.87 RHOA (0.43) RHOABRAFCCR3MEN1NPC1
SCHEMBL16775784 0.87 IMPDH2 (0.44) RHOABRAFCCR3NPC1RAB9A
SCHEMBL16249980 0.87 RHOA (0.43) RHOABRAFCCR3MEN1NPC1

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 RHOA 4858/4885FYN 3025/4885BRAF 2804/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885FYN 2694/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885FYN 2694/4885BRAF 3419/4885

“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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