SCHEMBL19365306

SCHEMBL19365306

NCc1ccc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MCHR1 Q99705 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ DCUN1D1 Q96GG9 4/20 0.39
▸ UBE2M P61081 3/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ VCP P55072 1/20 0.37

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
SCHEMBL19365722 0.98 POLB (0.41) POLBRAB9AMCHR1HDAC1KIF11
SCHEMBL19365784 0.93 POLB (0.47) POLBRAB9AMCHR1DCUN1D1UBE2M
SCHEMBL19365636 0.90 POLB (0.46) POLBRAB9AMCHR1KIF11DCUN1D1
SCHEMBL19706137 0.88 MCHR1 (0.43) POLBRAB9AMCHR1KIF11DCUN1D1
SCHEMBL19365571 0.87 MCHR1 (0.42) POLBRAB9AMCHR1KIF11CA2
SCHEMBL19365519 0.86 POLB (0.46) POLBRAB9AMCHR1HDAC1KIF11
SCHEMBL19670603 0.85 POLB (0.43) POLBRAB9AMCHR1KIF11DCUN1D1
SCHEMBL19670601 0.84 POLB (0.41) POLBRAB9AMCHR1CA2CA9
SCHEMBL19670560 0.84 POLB (0.47) POLBRAB9AMCHR1CA2CA9
SCHEMBL21841343 0.83 KMO (0.41) POLBRAB9AMCHR1CA2CA9

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 4 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 POLB 961/4885RAB9A 1471/4885MCHR1 4256/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLB 961/4885RAB9A 1471/4885MCHR1 4256/4885

“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