SCHEMBL2269057

SCHEMBL2269057

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 6/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MMP14 P50281 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAOA P21397 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
LMNA P02545 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2273092 0.91 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2274384 0.90 MAPT (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2272438 0.88 TP53 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2274357 0.88 KMT2A (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2274863 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2271959 0.84 HSP90AA1 (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL2270248 0.83 MAPK14 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL2274343 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2268881 0.81 PTPRC (0.47) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E

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 7 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-8304415-B2 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-11-06 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 1020/4885MAPT 4724/4885MAPK1 1010/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885MAPT 4820/4885MAPK1 1574/4885

“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.