SCHEMBL19699053

SCHEMBL19699053

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.43
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ FYN P06241 1/20 0.40
▸ BRAF P15056 5/20 0.40
▸ EPHB4 P54760 2/20 0.37
▸ RAF1 P04049 2/20 0.36
▸ CCR3 P51677 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GPR142 Q7Z601 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 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
SCHEMBL19699055 0.89 CREBBP (0.42) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776282 0.84 RHOA (0.38) RHOABRD4CREBBPFYNBRAF
SCHEMBL16775875 0.83 RHOA (0.46) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776422 0.82 CREBBP (0.40) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776368 0.82 RHOA (0.36) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776361 0.81 BRAF (0.44) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776445 0.81 RHOA (0.36) RHOABRD4CREBBPFYNBRAF
SCHEMBL16776108 0.80 CREBBP (0.45) RHOABRD4CREBBPBRAFCCR3
SCHEMBL16776296 0.80 RHOA (0.36) RHOABRD4CREBBPFYNBRAF
SCHEMBL16249975 0.80 RHOA (0.48) RHOABRD4CREBBPFYNBRAF

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 RHOA 4798/4885BRD4 180/4885CREBBP 528/4885

“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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