SCHEMBL907337

SCHEMBL907337

CC(C)(C)c1ccc(C(=O)NC(=O)N(S)c2ccc(N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
ESRRG P62508 1/20 0.49
HDAC1 Q13547 2/20 0.45
NR1H4 Q96RI1 2/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3400607 0.89 EPHX2 (0.51) EPHX2ESRRGHDAC1NR1H4ALDH1A1
Hydrochloric Acid SCHEMBL3400227 0.88 EPHX2 (0.50) EPHX2ESRRGHDAC1NR1H4ALDH1A1
SCHEMBL907583 0.83 NR1H4 (0.54) EPHX2ESRRGNR1H4ALDH1A1RAB9A
SCHEMBL3850008 0.80 EPHX2 (0.57) EPHX2NR1H4ALDH1A1RAB9AMAPT
SCHEMBL907521 0.79 NAMPT (0.46) EPHX2NR1H4RAB9AMAPTNPC1
SCHEMBL14859815 0.76 KCNK9 (0.47) HDAC1NR1H4ALDH1A1RAB9ANPC1
SCHEMBL907439 0.75 SIRT1 (0.55) HDAC1NR1H4HDAC3HDAC11HDAC8
SCHEMBL907350 0.75 SIRT1 (0.70)
SCHEMBL7947659 0.74 KIF11 (0.49) EPHX2ESRRGNR1H4ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3724825 0.74 MAOB (0.43) RAB9ANPC1LMNA

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 EPHX2 4403/4885ESRRG 609/4885HDAC1 156/4885

“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.