SCHEMBL16776380

SCHEMBL16776380

C[C@@H]1CNc2ccc(-c3cccc(Cl)c3)nc2N(C(=O)Nc2cccc(-c3cnco3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.46
▸ CREBBP Q92793 3/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ RHOA P61586 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ FYN P06241 1/20 0.36
▸ IMPDH2 P12268 2/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.36
▸ PFKFB4 Q16877 1/20 0.36
▸ LIMK2 P53671 2/20 0.35
▸ CASR P41180 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL16776361 0.89 BRAF (0.44) BRAFCREBBPBRD4RHOAFYN
SCHEMBL16776374 0.86 TSHR (0.46) BRAFTP53GAASMN1; SMN2POLB
SCHEMBL16776371 0.83 BRAF (0.38) BRAFCREBBPBRD4TP53GAA
SCHEMBL19699055 0.80 CREBBP (0.42) BRAFCREBBPBRD4RHOACNR1
SCHEMBL16776357 0.80 BRAF (0.40) BRAFRHOA
SCHEMBL16776372 0.79 CNR2 (0.51) TP53GAASMN1; SMN2
SCHEMBL16776375 0.79 FAAH (0.38) BRAFTP53GAASMN1; SMN2
SCHEMBL16776024 0.78 IMPDH2 (0.46) BRAFCREBBPBRD4RHOACNR1
SCHEMBL16776381 0.77 ABL1 (0.36) SMN1; SMN2POLBMAPT
SCHEMBL16776379 0.77 WNT1 (0.39) BRAFCREBBPBRD4RHOA

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 2 patents. 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
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 BRAF 3419/4885CREBBP 528/4885BRD4 180/4885

“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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