SCHEMBL2269177

SCHEMBL2269177

O=C(CCl)Nc1ccc2c(c1NC(=O)Cc1ccccc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RORC P51449 1/20 0.43
HPGD P15428 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 2/20 0.43
TERT O14746 1/20 0.43
MMP14 P50281 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL12393966 0.91 SMN1; SMN2 (0.47) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL12393969 0.91 CASP3 (0.50) CASP3KDM4EALDH1A1GAARORC
SCHEMBL2267954 0.85 TERT (0.47) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2272366 0.84 CYP1A2 (0.51) CASP3KDM4EALDH1A1KMT2AMEN1
SCHEMBL2267203 0.83 TERT (0.45) CASP3ALDH1A1GAAKMT2AMEN1
SCHEMBL2268733 0.83 NPC1 (0.49) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2274136 0.83 L3MBTL1 (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL2274239 0.82 TERT (0.43) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2269564 0.82 POLB (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL712444 0.81 TERT (0.50) KDM4EALDH1A1GAAKMT2AMEN1

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 11 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-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 CASP3 76/4885KDM4E 1987/4885ALDH1A1 1020/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS CASP3 127/4885KDM4E 1255/4885ALDH1A1 337/4885

“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.