SCHEMBL2274357

SCHEMBL2274357

CC(=O)N(Cl)c1ccc2c(c1NC(=O)c1cccc(C)c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPK14 Q16539 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.43
KCNK3 O14649 5/20 0.42
KCNK9 Q9NPC2 5/20 0.42
POLB P06746 2/20 0.42
KCNH2 Q12809 1/20 0.41
PSMB11 A5LHX3 1/20 0.41

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
SCHEMBL2271959 0.90 HSP90AA1 (0.45) KMT2AMEN1ALDH1A1MAPTMCL1
SCHEMBL2272381 0.89 ACE2 (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL2270248 0.89 MAPK14 (0.43) KMT2AMEN1MAPK14ALDH1A1L3MBTL1
SCHEMBL2269057 0.88 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL2271537 0.86 ALDH1A1 (0.46) KMT2AMEN1MAPK14ALDH1A1MAPT
SCHEMBL2273092 0.84 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL2274384 0.83 MAPT (0.44) KMT2AMEN1MAPK14ALDH1A1MAPT
SCHEMBL2274863 0.82 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL2272438 0.81 TP53 (0.40) KMT2AMEN1MAPK14ALDH1A1MAPT
SCHEMBL2270337 0.80 HPGD (0.46) KMT2AMEN1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530465-B2 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-09-10 US claimed
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof HUANG HSU-SHAN (TW) 2013-03-07 US claimed
US-8530465-B2 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-09-10 US disclosed
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof HUANG HSU-SHAN (TW) 2013-03-07 US disclosed
US-8304415-B2 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-11-06 US disclosed
US-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 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 (2 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-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA1, ANXA5, ANXA2 KMT2A 3021/4885MEN1 485/4885MAPK14 1134/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS KMT2A 2601/4885MEN1 847/4885MAPK14 2353/4885

“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.