SCHEMBL2269186

SCHEMBL2269186

CC(=O)N(Cl)c1ccc2c(c1NC(=O)Cc1ccccc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
MMP14 P50281 1/20 0.43
CASP3 P42574 1/20 0.41
MAOA P21397 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EPHX2 P34913 1/20 0.39
NAT1 P18440 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
MMP13 P45452 1/20 0.38
ELANE P08246 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL13560505 0.92 CASP3 (0.43) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2274141 0.84 MAPT (0.43) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL2268752 0.84 MAPT (0.44) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2272381 0.83 ACE2 (0.47) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL2269578 0.81 RAB9A (0.41) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2268494 0.79 MAPT (0.49) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL2269057 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL2273092 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL2274863 0.78 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2274343 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2

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 1020/4885GAA 2160/4885KDM4E 1987/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885GAA 1613/4885KDM4E 1255/4885

“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.