SCHEMBL19706296

SCHEMBL19706296

NCc1ncc(-c2cccc(NC(=O)N(c3nc(-c4cccc(C(F)(F)F)c4)ccc3N)C3CCC3)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FYN P06241 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ EPHB4 P54760 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ DCUN1D1 Q96GG9 5/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ UBE2M P61081 3/20 0.35
▸ CDK8 P49336 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 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 0.87 MGLL (0.40) POLBRAB9AEPHB4DCUN1D1UBE2M
SCHEMBL19365784 0.84 POLB (0.47) POLBRAB9AMCHR1DCUN1D1UBE2M
SCHEMBL19365722 0.83 POLB (0.41) POLBRAB9AMCHR1PIK3CDPIK3CA
SCHEMBL19365306 0.82 POLB (0.44) POLBRAB9AMCHR1DCUN1D1HDAC1
SCHEMBL19670560 0.81 POLB (0.47) POLBRAB9AFYNTRPV1MCHR1
SCHEMBL19365806 0.80 RHOA (0.42) POLBRAB9AFYNTRPV1MCHR1
SCHEMBL19365519 0.80 POLB (0.46) POLBRAB9AMCHR1DCUN1D1HDAC1
SCHEMBL19706120 0.79 POLB (0.45) POLBRAB9AMCHR1DCUN1D1UBE2M
SCHEMBL19365636 0.79 POLB (0.46) POLBRAB9AMCHR1EPHB4PIK3CD
SCHEMBL19365835 0.78 CNR2 (0.53) DCUN1D1UBE2M

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 POLB 961/4885RAB9A 1471/4885FYN 2694/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLB 961/4885RAB9A 1471/4885FYN 2694/4885

“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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