SCHEMBL19706147

SCHEMBL19706147

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cccc(Cl)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.44
▸ RHOA P61586 2/20 0.41
▸ CNR1 P21554 4/20 0.39
▸ CREBBP Q92793 3/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ IMPDH2 P12268 2/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ PFKFB4 Q16877 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CASR P41180 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
SCHEMBL19670550 0.89 RHOA (0.39) BRAFRHOACNR1CNR2
SCHEMBL19706268 0.88 RHOA (0.46) BRAFRHOACREBBPBRD4FYN
SCHEMBL19670539 0.88 BRAF (0.37) BRAFRHOACNR1KDM1ACNR2
SCHEMBL19365783 0.86 RHOA (0.45) BRAFRHOACREBBPBRD4FYN
SCHEMBL19706127 0.85 TSHR (0.47) TP53POLBMAPTCNR2
SCHEMBL19706246 0.82 BRAF (0.37) BRAFFYNMAPTKDM1ACNR2
SCHEMBL19706271 0.82 CNR2 (0.36) BRAFCNR1FYNTP53POLB
SCHEMBL17618831 0.81 BRAF (0.43) BRAFRHOACNR1CREBBPBRD4
SCHEMBL19706131 0.79 POLB (0.42) BRAFFYNPOLBMAPTKDM1A
SCHEMBL16776225 0.79 CREBBP (0.43) BRAFRHOACNR1CREBBPBRD4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BRAF 3419/4885RHOA 4798/4885CNR1 2946/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 BRAF 3419/4885RHOA 4798/4885CNR1 2946/4885

“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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