SCHEMBL16776108

SCHEMBL16776108

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H](C)CCN3)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ IMPDH2 P12268 5/20 0.44
▸ BRAF P15056 1/20 0.43
▸ RHOA P61586 2/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ LIMK2 P53671 1/20 0.36
▸ EDNRA P25101 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL16775979 0.90 CREBBP (0.44) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776407 0.89 CREBBP (0.44) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776052 0.86 CREBBP (0.43) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776422 0.85 CREBBP (0.40) CREBBPBRD4BRAFRHOACA9
SCHEMBL16776024 0.85 IMPDH2 (0.46) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776410 0.84 CREBBP (0.38) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776425 0.83 BRD4 (0.35) CREBBPBRD4BRAFWNT1GSK3B
SCHEMBL16776282 0.82 RHOA (0.38) CREBBPBRD4BRAFRHOACA9
SCHEMBL19699055 0.82 CREBBP (0.42) CREBBPBRD4IMPDH2BRAFRHOA
SCHEMBL16776404 0.81 BRD4 (0.36) CREBBPBRD4BRAFWNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885IMPDH2 1200/4885

“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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