SCHEMBL19699055

SCHEMBL19699055

CC[C@H]1CCNc2ccc(-c3cccc(Cl)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ BRAF P15056 2/20 0.41
▸ FYN P06241 1/20 0.38
▸ RHOA P61586 2/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ IMPDH2 P12268 2/20 0.35
▸ PFKFB3 Q16875 1/20 0.34
▸ PFKFB4 Q16877 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ TSHR P16473 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
SCHEMBL19699053 0.89 RHOA (0.43) CREBBPBRD4BRAFFYNRHOA
SCHEMBL16776108 0.82 CREBBP (0.45) CREBBPBRD4BRAFRHOACNR1
SCHEMBL19699054 0.80 MPL (0.39) FYN
SCHEMBL16775979 0.80 CREBBP (0.44) CREBBPBRD4BRAFRHOACNR1
SCHEMBL16776380 0.80 BRAF (0.46) CREBBPBRD4BRAFFYNRHOA
SCHEMBL16776225 0.79 CREBBP (0.43) CREBBPBRD4BRAFRHOACNR1
SCHEMBL16776407 0.79 CREBBP (0.44) CREBBPBRD4BRAFRHOACCR3
SCHEMBL16776052 0.78 CREBBP (0.43) CREBBPBRD4BRAFRHOACNR1
SCHEMBL16785659 0.78 DYRK1A (0.37) CREBBPBRD4BRAFRHOA
SCHEMBL16776422 0.77 CREBBP (0.40) CREBBPBRD4BRAFFYNRHOA

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885BRAF 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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