SCHEMBL2269050

SCHEMBL2269050

Cc1ccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MMP14 P50281 2/20 0.41
PKM P14618 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TERT O14746 1/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39

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 0.91 CYP1A2 (0.51) ALDH1A1MAPTMAPK1NPSR1SMN1; SMN2
SCHEMBL12392777 0.90 MAPT (0.47) ALDH1A1MAPTMAPK1NPSR1TDP1
SCHEMBL2273084 0.90 APAF1 (0.44) ALDH1A1MAPTMAPK1NPSR1SMN1; SMN2
SCHEMBL2270473 0.90 TSHR (0.51) ALDH1A1MAPTMAPK1NPSR1TDP1
SCHEMBL2274373 0.89 MAPT (0.45) ALDH1A1MAPTMAPK1SMN1; SMN2HTT
SCHEMBL2274346 0.88 KMT2A (0.47) ALDH1A1MAPTMAPK1NPSR1TDP1
SCHEMBL14754345 0.87 TERT (0.44) ALDH1A1MAPTMAPK1NPSR1TDP1
SCHEMBL2272434 0.87 PTGS1 (0.42) MAPTHTTCYP1A2TSHRNPC1
SCHEMBL2268237 0.87 TERT (0.43) ALDH1A1MAPTMAPK1NPSR1TDP1
SCHEMBL12393966 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1

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 ALDH1A1 1020/4885MAPT 4724/4885MAPK1 1010/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885MAPT 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.