Sugi Predict

Sugi Predict / Compounds / SCHEMBL16775729

SCHEMBL16775729

SCHEMBL16775729

C=C(NCCn1cc(-c2cccc(C(C)C)c2)nn1)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.39
▸ HDAC6 Q9UBN7 10/20 0.39
▸ HDAC3 O15379 9/20 0.39
▸ HDAC4 P56524 9/20 0.39
▸ HDAC1 Q13547 9/20 0.39
▸ HDAC7 Q8WUI4 9/20 0.39
▸ HDAC2 Q92769 9/20 0.39
▸ HDAC10 Q969S8 9/20 0.39
▸ HDAC11 Q96DB2 9/20 0.39
▸ HDAC9 Q9UKV0 9/20 0.39
▸ HDAC5 Q9UQL6 9/20 0.39
▸ ESRRG P62508 1/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ SRC P12931 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NR1H4 Q96RI1 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
SCHEMBL17618318 0.88 HDAC3 (0.43) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17624403 0.74 HDAC8 (0.56) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL30737158 0.74 HDAC3 (0.45) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16775813 0.73 UCHL5 (0.44) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17273760 0.72 HDAC3 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL26793395 0.71 FABP7 (0.52) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL26974304 0.67 ADRB2 (0.41) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL24451693 0.67 HDAC1 (0.42) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL30737267 0.66 HDAC3 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL25820297 0.65 CYP19A1 (0.51) ESRRGSRC

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (3 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC8 110/4885HDAC6 25/4885HDAC3 70/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC8 89/4885HDAC6 30/4885HDAC3 86/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC8 110/4885HDAC6 25/4885HDAC3 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.