SCHEMBL2273092

SCHEMBL2273092

CC(=O)N(Cl)c1ccc2c(c1NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NOD2 Q9HC29 1/20 0.46
MAPT P10636 6/20 0.43
MAPK1 P28482 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
APAF1 O14727 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
MMP14 P50281 1/20 0.40
TP53 P04637 3/20 0.40

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
SCHEMBL2272381 0.92 ACE2 (0.47) ALDH1A1HTTLMNAL3MBTL1NOD2
SCHEMBL2269057 0.91 ALDH1A1 (0.41) ALDH1A1HTTLMNAL3MBTL1NOD2
SCHEMBL2274384 0.90 MAPT (0.44) ALDH1A1HTTMAPTMAPK1SMN1; SMN2
SCHEMBL2271959 0.88 HSP90AA1 (0.45) ALDH1A1HTTLMNAMAPTKDM4E
SCHEMBL2272438 0.88 TP53 (0.40) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL2274343 0.84 ALDH1A1 (0.46) ALDH1A1HTTMAPTMAPK1SMN1; SMN2
SCHEMBL2274357 0.84 KMT2A (0.44) ALDH1A1LMNAL3MBTL1MAPTMAPK1
SCHEMBL2270248 0.83 MAPK14 (0.43) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL2274863 0.82 ALDH1A1 (0.55) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL2268881 0.81 PTPRC (0.47) ALDH1A1HTTLMNAL3MBTL1MAPT

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 ALDH1A1 1020/4885HTT 3976/4885LMNA 923/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885HTT 4118/4885LMNA 1372/4885

“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.