SCHEMBL2274384

SCHEMBL2274384

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MAPK1 P28482 3/20 0.44
CASP3 P42574 2/20 0.44
APAF1 O14727 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MMP14 P50281 1/20 0.39
S100A4 P26447 1/20 0.39
MAOA P21397 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL2272381 0.91 ACE2 (0.47) MAPTMAPK1APAF1SMN1; SMN2ALDH1A1
SCHEMBL2273092 0.90 ALDH1A1 (0.46) MAPTMAPK1CASP3APAF1SENP8
SCHEMBL2269057 0.90 ALDH1A1 (0.41) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2272438 0.89 TP53 (0.40) MAPTMAPK1CASP3APAF1SENP8
SCHEMBL2270248 0.89 MAPK14 (0.43) MAPTCASP3SENP7SENP6ALDH1A1
SCHEMBL2268881 0.85 PTPRC (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL13560505 0.84 CASP3 (0.43) MAPTMAPK1CASP3APAF1SMN1; SMN2
SCHEMBL2271959 0.83 HSP90AA1 (0.45) MAPTALDH1A1NPC1HTTRAB9A
SCHEMBL2274357 0.83 KMT2A (0.44) MAPTMAPK1APAF1SMN1; SMN2ALDH1A1
SCHEMBL2271537 0.82 ALDH1A1 (0.46) MAPTALDH1A1HTTRAB9AMEN1

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 MAPT 4724/4885MAPK1 1010/4885CASP3 76/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS MAPT 4820/4885MAPK1 1574/4885CASP3 127/4885

“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.