SCHEMBL907197

SCHEMBL907197

CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)COCCOCCOCCOCCOCCBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 11/20 0.59
SIRT2 Q8IXJ6 9/20 0.57
SIRT3 Q9NTG7 1/20 0.56
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
Hydrochloric Acid SCHEMBL907374 0.88 SIRT1 (0.72) SIRT1SIRT2SIRT3
SCHEMBL907200 0.83 SIRT1 (0.42) SIRT1SIRT2SIRT3MAPTSMN1; SMN2
SCHEMBL907315 0.82 STAT3 (0.53) SIRT1SIRT2SIRT3ALDH1A1MAPT
SCHEMBL907810 0.81 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL907437 0.81 SIRT1 (0.76) SIRT1SIRT2SIRT3ALDH1A1MAPT
SCHEMBL907692 0.80 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL907340 0.80 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL12067341 0.80 SIRT1 (0.71) SIRT1SIRT2SIRT3ALDH1A1MAPT
SCHEMBL28330750 0.79 SIRT1 (0.72) SIRT1SIRT2SIRT3ALDH1A1MAPT
SCHEMBL28981401 0.79 SIRT1 (0.49) SIRT1SIRT2SIRT3ALDH1A1MAPT

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 3/4885SIRT2 6/4885SIRT3 13/4885

“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.