SCHEMBL16238536

SCHEMBL16238536

Nc1cccc(-c2cn(CCNC(=O)O)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL5 Q9Y5K5 2/20 0.52
HDAC3 O15379 15/20 0.50
HDAC4 P56524 15/20 0.50
HDAC1 Q13547 15/20 0.50
HDAC7 Q8WUI4 15/20 0.50
HDAC2 Q92769 15/20 0.50
HDAC10 Q969S8 15/20 0.50
HDAC11 Q96DB2 15/20 0.50
HDAC8 Q9BY41 15/20 0.50
HDAC6 Q9UBN7 15/20 0.50
HDAC9 Q9UKV0 15/20 0.50
HDAC5 Q9UQL6 15/20 0.50
TEK Q02763 2/20 0.48
KDR P35968 1/20 0.48
UCHL1 P09936 1/20 0.47
UCHL3 P15374 1/20 0.47
PRMT5 O14744 1/20 0.44

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
SCHEMBL16155356 0.93 HDAC3 (0.53) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16155169 0.92 HDAC3 (0.54) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16155361 0.91 HDAC3 (0.56) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16775813 0.83 UCHL5 (0.44) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16155383 0.82 UCHL5 (0.49) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16155382 0.79 UCHL5 (0.46) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL14987759 0.78 TEK (0.55) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL17601612 0.76 UCHL5 (0.48) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL30737267 0.76 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL460447 0.76 TEK (0.55) UCHL5HDAC3HDAC4HDAC1HDAC7

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 11 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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
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
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 EP disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
EP-2997029-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-03-23 EP disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 WO 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 (4 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 UCHL5 538/4885HDAC3 70/4885HDAC4 125/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 UCHL5 677/4885HDAC3 86/4885HDAC4 132/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 UCHL5 538/4885HDAC3 70/4885HDAC4 125/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 UCHL5 538/4885HDAC3 70/4885HDAC4 125/4885

“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.