SCHEMBL19706124

SCHEMBL19706124

Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1N(C(=O)Nc1cccc(-c2cnc(CNC(=O)OCc3ccccc3)o2)c1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.45
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ PTGES O14684 1/20 0.36
▸ DCUN1D1 Q96GG9 5/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ UBE2M P61081 4/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL19670554 0.90 MGLL (0.40) MGLLPTGESDCUN1D1UBE2MPOLB
SCHEMBL19365557 0.80 MGLL (0.40) MGLLHDAC1HDAC2PTGESDCUN1D1
SCHEMBL19699106 0.77 MGLL (0.43) MGLLPTGESENPP2
SCHEMBL19706296 0.76 POLB (0.39) HDAC1DCUN1D1UBE2MMCHR1POLB
SCHEMBL19670547 0.74 MGLL (0.39) MGLLPTGES
SCHEMBL16249968 0.73 MGLL (0.39) MGLLPTGESDCUN1D1UBE2M
SCHEMBL16785551 0.69 HDAC1 (0.45) MGLLHDAC1RAB9A
SCHEMBL16775744 0.67 ATM (0.43) MGLL
SCHEMBL19365784 0.65 POLB (0.47) DCUN1D1UBE2MMCHR1POLBRAB9A
SCHEMBL19688778 0.63 MGLL (0.76) MGLLENPP2RAB9A

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 MGLL 2998/4885HDAC1 71/4885HDAC2 50/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MGLL 2998/4885HDAC1 71/4885HDAC2 50/4885

“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.

Send feedback