SCHEMBL16776443

SCHEMBL16776443

CCCCc1cc(NC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(-c2cnco2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ BRAF P15056 3/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ P2RX1 P51575 1/20 0.31

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 0.86 RHOA (0.46) RHOACA2CA9HTR2CHTR2A
SCHEMBL16776297 0.82 RHOA (0.37) RHOACA2CA9FYNBRAF
SCHEMBL16776298 0.81 RHOA (0.39) RHOACA2CA9BRAF
SCHEMBL16775841 0.79 CA2 (0.41) CA2CA9HTR2CHTR2AFYN
SCHEMBL16776476 0.79 CA2 (0.43) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL16775844 0.79 NTRK1 (0.40) CA2CA9FYNNPC1KIT
SCHEMBL16785538 0.78 HTR2A (0.49) CA2CA9HTR2CCYP1A2HTR2A
SCHEMBL16776432 0.78 CA2 (0.40) CA2CA9FYNNPC1TRPV1
SCHEMBL16776165 0.78 CA2 (0.43) CA2CA9FYNNPC1RAF1
SCHEMBL16776179 0.78 CA2 (0.45) CA2CA9

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 4798/4885CA2 4253/4885CA9 4248/4885

“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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