SCHEMBL19865057

SCHEMBL19865057

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cc(-c2cnco2)cc(-c2cnco2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.41
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ CREBBP Q92793 3/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ FYN P06241 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ KDM1A O60341 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
SCHEMBL19865030 0.89 DYRK1A (0.40) RHOACA2CA9BRAFGSK3B
SCHEMBL21841333 0.88 RHOA (0.45) RHOAMAPTBRAFCREBBPBRD4
SCHEMBL19670212 0.86 RHOA (0.45) RHOACA2CA9MAPTBRAF
SCHEMBL19365708 0.86 MAPT (0.41) CA2CA9MAPTFYNHTR2C
SCHEMBL19365674 0.86 RHOA (0.43) RHOACA2CA9MAPTBRAF
SCHEMBL20632034 0.86 RHOA (0.41) RHOACA2CA9BRAFCREBBP
SCHEMBL19365904 0.85 MAPT (0.43) CA2CA9MAPTFYNNPC1
SCHEMBL19365254 0.85 HTR2C (0.47) MAPTHTR2CNPC1MEN1KMT2A
SCHEMBL16238714 0.85 RHOA (0.43) RHOACA2CA9MAPTBRAF
SCHEMBL19365595 0.84 MAPT (0.38) CA2CA9MAPTFYNHTR2C

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885CA2 4636/4885CA9 4430/4885

“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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