SCHEMBL29944952

SCHEMBL29944952

COc1ccc(C(=O)Nc2ccc(CC(=O)NCc3ccccc3)cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 2/20 0.62
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
NR1H4 Q96RI1 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 3/20 0.57
UBE2N P61088 1/20 0.56
RAB9A P51151 2/20 0.56
NQO2 P16083 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
MAPT P10636 1/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
NAMPT P43490 1/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29944814 0.90 ROCK2 (0.64) ROCK2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL29944815 0.84 MEN1 (0.81) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4026426 0.83 MEN1 (0.61) ROCK2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL22664681 0.82 HDAC1 (0.69) MEN1KMT2AALDH1A1LMNANR1H4
SCHEMBL28859140 0.82 NR1H4 (0.82) ROCK2ALDH1A1LMNANR1H4NPC1
SCHEMBL4141962 0.80 MEN1 (0.89) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL307847 0.79 ROCK2 (0.84) ROCK2MEN1KMT2ACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL9638131 0.79 MEN1 (0.86) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL22664696 0.79 MEN1 (0.74) MEN1KMT2AALDH1A1LMNANR1H4
SCHEMBL8813394 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479536-B1 Arylacetamides as AMP-activated protein kinase inhibitors and their use for treatment of breast cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-10-25 US 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-11479536-B1 Arylacetamides as AMP-activated protein kinase inhibitors and their use for treatment of breast cancer PRKAA2, PRKAA1, PRKAG2 ROCK2 1144/4885MEN1 3759/4885KMT2A 779/4885

“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.