SCHEMBL17618491

SCHEMBL17618491

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ CNR1 P21554 12/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ CASR P41180 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL17618598 0.89 RHOA (0.43) RHOABRAFCCR3CNR1BRD4
SCHEMBL16775764 0.89 IMPDH2 (0.44) RHOABRAFCCR3CNR1BRD4
SCHEMBL16249980 0.89 RHOA (0.43) RHOABRAFCCR3CNR1BRD4
SCHEMBL16775784 0.89 IMPDH2 (0.44) RHOABRAFCCR3CNR1BRD4
SCHEMBL19365359 0.89 RHOA (0.43) RHOABRAFCCR3CNR1BRD4
SCHEMBL19670350 0.88 RHOA (0.45) RHOABRAFCCR3CNR1BRD4
SCHEMBL20632009 0.88 RHOA (0.45) RHOABRAFCCR3CNR1BRD4
SCHEMBL19865069 0.87 RHOA (0.48) RHOABRAFCCR3BRD4CREBBP
SCHEMBL16250011 0.87 RHOA (0.48) RHOABRAFCCR3BRD4CREBBP
SCHEMBL16249983 0.87 RHOA (0.48) RHOABRAFCCR3BRD4CREBBP

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 4858/4885BRAF 2804/4885CCR3 4873/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885CCR3 4863/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885CCR3 4863/4885

“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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