SCHEMBL16775763

SCHEMBL16775763

CC(F)(F)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCN3CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ RHOA P61586 2/20 0.43
▸ BRAF P15056 1/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PAX8 Q06710 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ GSK3B P49841 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ LIMK2 P53671 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ WNT1 P04628 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
SCHEMBL16775765 0.96 RHOA (0.44) CREBBPBRD4RHOABRAFNPC1
SCHEMBL16249975 0.94 RHOA (0.48) CREBBPBRD4RHOABRAFNPC1
SCHEMBL19365674 0.91 RHOA (0.43) CREBBPBRD4RHOABRAFNPC1
SCHEMBL16249983 0.90 RHOA (0.48) CREBBPBRD4RHOABRAFNPC1
SCHEMBL19865069 0.90 RHOA (0.48) CREBBPBRD4RHOABRAFNPC1
SCHEMBL16250011 0.90 RHOA (0.48) CREBBPBRD4RHOABRAFNPC1
SCHEMBL17618330 0.89 IMPDH2 (0.45) CREBBPBRD4RHOABRAFNPC1
SCHEMBL16776225 0.89 CREBBP (0.43) CREBBPBRD4RHOABRAFNPC1
SCHEMBL17624410 0.89 CREBBP (0.43) CREBBPBRD4RHOABRAFNPC1
SCHEMBL16238714 0.87 RHOA (0.43) CREBBPBRD4RHOABRAFNPC1

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-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
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 CREBBP 419/4885BRD4 194/4885RHOA 4858/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885RHOA 4798/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885RHOA 4798/4885

“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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