SCHEMBL6509320

SCHEMBL6509320

CN(C)C1=C(NC(=O)CCl)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
PAX8 Q06710 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TLR9 Q9NR96 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HTT P42858 6/20 0.47
LMNA P02545 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NOD2 Q9HC29 1/20 0.47
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 5/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
GSTO1 P78417 3/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
APAF1 O14727 2/20 0.44

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
SCHEMBL6500883 0.81 ALDH1A1 (0.48) TDP2PAX8HKDC1TLR9ALDH1A1
SCHEMBL10891344 0.78 HKDC1 (0.70) TDP2PAX8HKDC1TLR9ALDH1A1
SCHEMBL6502899 0.76 ALDH1A1 (0.47) TDP2PAX8HKDC1TLR9ALDH1A1
SCHEMBL6239008 0.75 ALDH1A1 (0.46) TDP2PAX8HKDC1TLR9ALDH1A1
SCHEMBL31171425 0.75 MEN1 (0.55) TDP2HKDC1ALDH1A1HTTLMNA
SCHEMBL29967684 0.71 HKDC1 (0.51) TDP2HKDC1ALDH1A1HTTLMNA
SCHEMBL6366033 0.70 TERT (0.60) ALDH1A1HTTSMN1; SMN2RAB9AKMT2A
SCHEMBL7957003 0.68 HKDC1 (0.78) TDP2PAX8HKDC1TLR9ALDH1A1
SCHEMBL15427156 0.68 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL6240168 0.68 HKDC1 (0.43) TDP2PAX8HKDC1TLR9ALDH1A1

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-20050032794-A1 Diamine derivatives of quinone and uses thereof CLINICAL DATA, INC. 2005-02-10 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-20050032794-A1 Diamine derivatives of quinone and uses thereof NQO1, DPYD, NQO2 TDP2 833/4885PAX8 2777/4885HKDC1 775/4885

“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.