SCHEMBL19365586

SCHEMBL19365586

NCC#Cc1cc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CCCCC2)cc(-c2cnco2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.38
▸ MCHR1 Q99705 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASR P41180 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ VCP P55072 1/20 0.30
▸ UBE2M P61081 1/20 0.30
▸ DCUN1D1 Q96GG9 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL19365806 0.89 RHOA (0.42) RHOAMCHR1POLBRAB9ACASR
SCHEMBL19365843 0.86 RHOA (0.39) RHOAMCHR1POLBRAB9ACASR
SCHEMBL19365264 0.81 RHOA (0.38) RHOAMCHR1POLBRAB9AGSK3B
SCHEMBL19670499 0.80 RHOA (0.34) RHOAMCHR1POLBRAB9ACASR
SCHEMBL19706136 0.79 RHOA (0.43) RHOAPOLBRAB9ACASRBRAF
SCHEMBL19365833 0.78 RHOA (0.43) RHOAPOLBRAB9ACASRBRAF
SCHEMBL19365306 0.78 POLB (0.44) MCHR1POLBRAB9AMEN1ALDH1A1
SCHEMBL19365636 0.78 POLB (0.46) MCHR1POLBRAB9ABRAFMEN1
SCHEMBL19365712 0.78 RHOA (0.44) RHOAPOLBRAB9AGSK3BDYRK1A
SCHEMBL19365519 0.78 POLB (0.46) MCHR1POLBRAB9ABRAFMEN1

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 3 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 4798/4885MCHR1 4256/4885POLB 961/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885MCHR1 4256/4885POLB 961/4885

“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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