SCHEMBL907520

SCHEMBL907520

CC(C)(C)OC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 10/20 0.60
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SIRT2 Q8IXJ6 7/20 0.58
SIRT3 Q9NTG7 1/20 0.57
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAMPT P43490 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL12067341 0.89 SIRT1 (0.71) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL907174 0.86 NR1H4 (0.56) SIRT1MAPTLMNASMN1; SMN2SIRT2
SCHEMBL28662121 0.86 SIRT1 (0.68) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10176299 0.84 SMN1; SMN2 (0.54) MAPTSMN1; SMN2MEN1HTTRAB9A
SCHEMBL15136545 0.84 ALDH1A1 (0.68) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14096555 0.84 SIRT1 (0.62) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2344788 0.83 KMT2A (0.68) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16677197 0.83 MIF (0.66) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL907582 0.83 SIRT1 (0.65) SIRT1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL12940302 0.83 SIRT1 (0.65) SIRT1ALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501991-B2 P53 activating compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2013-08-06 US disclosed
US-20110021529-A1 P53 ACTIVATING COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2011-01-27 US disclosed
EP-2099445-B1 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIV DUNDEE (GB) 2010-11-17 EP disclosed
EP-2099445-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS University Court of The University of Dundee (GB) 2009-09-16 EP disclosed
WO-2008029096-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-03-13 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 (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-20110021529-A1 P53 ACTIVATING COMPOUNDS TP53, TP53BP1, SIRT1 SIRT1 3/4885ALDH1A1 2250/4885MAPT 1232/4885

“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.