SCHEMBL2273084

SCHEMBL2273084

O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
KMT2A Q03164 3/20 0.42

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
SCHEMBL2272366 0.92 CYP1A2 (0.51) APAF1MAPTMAPK1HTTKDM4E
SCHEMBL2274373 0.90 MAPT (0.45) APAF1MAPTMAPK1HTTKDM4E
SCHEMBL2269050 0.90 ALDH1A1 (0.44) MAPTMAPK1HTTKDM4EPOLB
SCHEMBL2271955 0.88 HSP90AA1 (0.43) MAPTMAPK1KDM4ECYP1A2TSHR
SCHEMBL2272434 0.88 PTGS1 (0.42) APAF1MAPTHTTKDM4EPOLB
SCHEMBL12393966 0.87 SMN1; SMN2 (0.47) MAPTMAPK1KDM4EPOLBSMN1; SMN2
SCHEMBL2274338 0.84 CASP3 (0.46) MAPTMAPK1KDM4EPOLBSMN1; SMN2
SCHEMBL2274346 0.83 KMT2A (0.47) APAF1MAPTMAPK1HTTMITF
SCHEMBL2270240 0.83 MAPK14 (0.44) MAPTMAPK1KDM4EPOLBSMN1; SMN2
SCHEMBL2267954 0.81 TERT (0.47) MAPTMAPK1KDM4EPOLBSMN1; 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 10 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-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-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-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
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 APAF1 1285/4885MAPT 4724/4885MAPK1 1010/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS APAF1 1080/4885MAPT 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.