SCHEMBL16776437

SCHEMBL16776437

C=C(Nc1cccc(-c2cnco2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.43
▸ BRAF P15056 7/20 0.37
▸ FYN P06241 1/20 0.36
▸ LIMK2 P53671 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ RAF1 P04049 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ RPS6KA3 P51812 2/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33

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
SCHEMBL16775875 0.91 RHOA (0.46) RHOABRAFFYNLIMK2BRD4
SCHEMBL16776298 0.84 RHOA (0.39) RHOABRAFCA2CA9
SCHEMBL20632351 0.83 KDM4E (0.37) RHOABRAFFYNRAF1
SCHEMBL16776446 0.82 SIGMAR1 (0.36) BRAFFYNRAF1PRKCQ
SCHEMBL16776024 0.80 IMPDH2 (0.46) RHOABRAFLIMK2BRD4CREBBP
SCHEMBL16776297 0.79 RHOA (0.37) RHOABRAFFYNCA2CA9
SCHEMBL16776450 0.79 RHOA (0.49) RHOABRD4CREBBPCCNCCDK8
SCHEMBL16776322 0.79 NPC1 (0.44) BRAFFYNRAF1CA2CA9
SCHEMBL16776361 0.79 BRAF (0.44) RHOABRAFFYNBRD4CREBBP
SCHEMBL16776358 0.78 HTR2C (0.48) BRAFFYN

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 RHOA 4798/4885BRAF 3419/4885FYN 2694/4885

“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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