SCHEMBL19865051

SCHEMBL19865051

NCCCCCC(=O)NCc1cn(-c2cccc(NC(O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ NOTUM Q6P988 2/20 0.34
▸ NCOR2 Q9Y618 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ KDM1A O60341 2/20 0.32

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
SCHEMBL16249981 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
Hydrochloric Acid SCHEMBL16754672 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL19365383 0.87 CA1 (0.37) NOTUMCA12CA1CA2CA9
SCHEMBL16238397 0.80 AURKA (0.37) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL19706003 0.79 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16238490 0.78 AURKA (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL19670361 0.77 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16238555 0.77 NOTUM (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL19365864 0.76 KMT2A (0.39) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL17624649 0.76 CA12 (0.49) CA12CA1CA2CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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 (1 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC3 86/4885HDAC1 64/4885HDAC2 72/4885

“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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