SCHEMBL907217

SCHEMBL907217

CC(C)(C)c1ccc(C(=O)NC(=O)Nc2ccc(N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
NR1H4 Q96RI1 2/20 0.60
SIRT1 Q96EB6 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TRPV1 Q8NER1 4/20 0.55
RAB9A P51151 3/20 0.55
PTGS1 P23219 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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 SCHEMBL3400229 0.98 SIRT1 (0.59) EPHX2NR1H4SIRT1MEN1KMT2A
SCHEMBL11665796 0.89 MEN1 (0.71) SIRT1MEN1KMT2ALMNAPOLB
SCHEMBL3404122 0.88 NR1H4 (0.60) EPHX2NR1H4SIRT1MEN1KMT2A
SCHEMBL7300203 0.87 MEN1 (0.76) EPHX2NR1H4MEN1KMT2ALMNA
SCHEMBL7301203 0.87 MEN1 (0.76) EPHX2NR1H4MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3400225 0.87 SIRT1 (0.59) EPHX2NR1H4SIRT1MEN1KMT2A
SCHEMBL8218803 0.86 NR1H4 (0.63) EPHX2NR1H4SIRT1MEN1KMT2A
SCHEMBL907336 0.85 SIRT1 (0.64) SIRT1MEN1KMT2ASIRT2LMNA
SCHEMBL15149593 0.85 MEN1 (0.54) EPHX2NR1H4MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3400231 0.84 SIRT1 (0.62) SIRT1MEN1KMT2ASIRT2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724780-A Acyl thiourea compound based on hydrophobic label, preparation method thereof and application of acyl thiourea compound in resisting influenza A virus 武汉大学 2023-03-03 CN claimed
CN-115724780-B Acylthiourea compound based on hydrophobic tag, preparation method thereof and application of acylthiourea compound in resisting influenza A virus 武汉大学 2024-04-26 CN disclosed
CN-115724780-A Acyl thiourea compound based on hydrophobic label, preparation method thereof and application of acyl thiourea compound in resisting influenza A virus 武汉大学 2023-03-03 CN disclosed
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 4403/4885NR1H4 2245/4885SIRT1 3/4885

“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.