SCHEMBL2274343

SCHEMBL2274343

CC(=O)N(Cl)c1ccc2c(c1NC(=O)c1ccccc1Cl)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP14 P50281 1/20 0.43
CASP3 P42574 3/20 0.42
MAOA P21397 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 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
SCHEMBL2274863 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2268881 0.88 PTPRC (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2270069 0.85 PTPRC (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2272381 0.85 ACE2 (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2273092 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2270337 0.83 HPGD (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2269057 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2271959 0.82 HSP90AA1 (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2274384 0.81 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2268494 0.81 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTMAPK1

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 1020/4885MEN1 485/4885KMT2A 3021/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885MEN1 847/4885KMT2A 2601/4885

“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.