SCHEMBL19706136

SCHEMBL19706136

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccc(-c2cnco2)c1)C1CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.43
▸ BRAF P15056 1/20 0.39
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ CASR P41180 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ EPHB4 P54760 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ LIMK2 P53671 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
SCHEMBL19365833 0.88 RHOA (0.43) RHOABRAFBRD4CREBBPCASR
SCHEMBL19365806 0.86 RHOA (0.42) RHOABRAFCASRFYNSLC9A1
SCHEMBL19365712 0.83 RHOA (0.44) RHOABRAFBRD4CREBBPFYN
SCHEMBL19670289 0.82 BRAF (0.42) RHOABRAFBRD4CREBBPCASR
SCHEMBL19365843 0.80 RHOA (0.39) RHOABRAFCASRSLC9A1POLB
SCHEMBL19365586 0.79 RHOA (0.38) RHOABRAFCASRSLC9A1POLB
SCHEMBL19706060 0.79 BRAF (0.42) RHOABRAFBRD4CREBBPCASR
SCHEMBL19365786 0.78 RHOA (0.37) RHOABRAFSLC9A1PIK3CDPIK3CA
SCHEMBL19365264 0.78 RHOA (0.38) RHOAFYNPOLBRAB9AROCK2
SCHEMBL19706296 0.77 POLB (0.39) FYNPOLBRAB9ALCKEPHB4

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 RHOA 4798/4885BRAF 3419/4885BRD4 180/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885BRD4 180/4885

“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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