SCHEMBL17123733

SCHEMBL17123733

COC1=C(C)C(=O)C(N(C)C)=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CDC25A P30304 2/20 0.39
CDC25B P30305 2/20 0.39
IDO1 P14902 4/20 0.39
CES1 P23141 3/20 0.37
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAP2K7 O14733 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10787959 0.74 HKDC1 (0.50) HKDC1CDC25ACDC25BIDO1PTPN1
SCHEMBL5983372 0.72 HKDC1 (0.72) HKDC1CDC25ACDC25BIDO1PTPN1
SCHEMBL16465426 0.71 ALOX5 (0.68) ALOX5MPEG1
SCHEMBL14507728 0.71 HKDC1 (0.47) HKDC1CDC25ACDC25BIDO1PTPN1
SCHEMBL5330070 0.71 TDP1 (0.47) HKDC1CDC25ACDC25BIDO1KDM4E
SCHEMBL20098774 0.69 STING1 (0.34) MALT1HKDC1
SCHEMBL14407314 0.68 HKDC1 (0.44) HKDC1CDC25ACDC25BALDH1A1MAPT
SCHEMBL8958289 0.67 MALT1 (0.50) MALT1CES1PTPN1ALDH1A1ALOX15
SCHEMBL5590298 0.67 CDC25A (0.56) HKDC1CDC25ACDC25BIDO1PTPN1
SCHEMBL9655485 0.67 CDC25A (0.64) HKDC1CDC25ACDC25BIDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957214-B2 Multifunctional radical quenchers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-10-01 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-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS SQOR, UQCRC1, PRDX5 MALT1 2857/4885HKDC1 3100/4885CDC25A 1420/4885

“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.