SCHEMBL19706162

SCHEMBL19706162

CS(=O)(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(-c4cnco4)c2)C2CCN3CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ BRAF P15056 4/20 0.38
▸ CREBBP Q92793 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RHOA P61586 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAF1 P04049 3/20 0.33
▸ KIF18A Q8NI77 1/20 0.33

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
SCHEMBL17618857 0.96 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618849 0.90 BRAF (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19670660 0.87 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618856 0.84 DYRK1A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16775779 0.84 CREBBP (0.43) BRAFCREBBPBRD4NPC1RAB9A
SCHEMBL17618851 0.83 KIF18A (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618330 0.83 IMPDH2 (0.45) BRAFCREBBPBRD4NPC1RAB9A
SCHEMBL16776410 0.83 CREBBP (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16249978 0.82 CREBBP (0.42) BRAFCREBBPBRD4NPC1RAB9A
SCHEMBL17618770 0.82 CREBBP (0.42) BRAFCREBBPBRD4RHOAIMPDH2

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 HDAC3 70/4885HDAC4 125/4885HDAC1 71/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC3 70/4885HDAC4 125/4885HDAC1 71/4885

“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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