SCHEMBL19365461

SCHEMBL19365461

Nc1ccc(-c2cncc(C(F)(F)F)c2)nc1N(C(=O)Nc1cnccn1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRNA7 P36544 2/20 0.35
▸ DYRK1A Q13627 4/20 0.35
▸ KDR P35968 3/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ CSNK1G2 P78368 2/20 0.35
▸ CDK5 Q00535 2/20 0.35

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
SCHEMBL19365471 0.92 ATR (0.36) HDAC1HDAC2HDAC3CHRNA7DYRK1A
SCHEMBL19364807 0.89 ATR (0.35) HDAC1HDAC2HDAC3CHRNA7DYRK1A
SCHEMBL19670340 0.89 HDAC2 (0.38) HDAC1HDAC2HDAC3DYRK1AMAP4K4
SCHEMBL19670630 0.88 HDAC1 (0.40) HDAC1HDAC2HDAC3NPSR1DYRK1A
SCHEMBL19706219 0.87 HDAC3 (0.38) HDAC1HDAC2HDAC3DYRK1AGSK3B
SCHEMBL19365451 0.87 GABRA1 (0.36) HDAC1HDAC2HDAC3CHRNA7CTPS1
SCHEMBL19364864 0.87 HDAC2 (0.44) HDAC1HDAC2HDAC3DYRK1AGSK3B
SCHEMBL19365478 0.87 HDAC3 (0.40) HDAC1HDAC2HDAC3HSD17B10KDR
SCHEMBL19365703 0.85 PIK3C3 (0.40) HDAC1HDAC2HDAC3DYRK1AGSK3B
SCHEMBL19365556 0.85 UBE2M (0.38) HDAC1HDAC2HDAC3TSHRHSD17B10

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 HDAC1 71/4885HDAC2 50/4885HDAC3 70/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC1 71/4885HDAC2 50/4885HDAC3 70/4885

“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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