SCHEMBL22664530

SCHEMBL22664530

CC(C)NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.47
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 5/20 0.46

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
SCHEMBL22664528 1.00 TDP1 (0.51) TDP1ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL22664519 0.85 MAPT (0.58) TDP1ALDH1A1MAPK1HTTGAA
SCHEMBL22664518 0.85 MAPT (0.58) TDP1ALDH1A1MAPK1HTTGAA
SCHEMBL22664536 0.82 HDAC3 (0.56) TDP1ALDH1A1CYP1A2CYP2C9HTT
SCHEMBL22664537 0.82 HDAC3 (0.56) TDP1ALDH1A1CYP1A2CYP2C9HTT
SCHEMBL22692996 0.81 MAPT (0.62) TDP1ALDH1A1MAPK1HPGDHTT
SCHEMBL22645438 0.81 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP3A4CYP2C19HPGD
SCHEMBL22645433 0.81 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP3A4CYP2C19HPGD
SCHEMBL22645435 0.81 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP3A4CYP2C19HPGD
SCHEMBL22645440 0.81 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP3A4CYP2C19HPGD

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-10842795-B1 Chemosensitization of resistant Pseudomonas aeruginosa by synthetically related compounds KING ABDULAZIZ UNIVERSITY (SA) 2020-11-24 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-10842795-B1 Chemosensitization of resistant Pseudomonas aeruginosa by synthetically related compounds ABCC1, SLC11A2, ABCB1 TDP1 4612/4885ALDH1A1 3989/4885CYP1A2 4154/4885

“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.