SCHEMBL2268494

SCHEMBL2268494

CC(=O)N(Cl)c1ccc2c(c1NC(=O)C1CC1)C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MMP14 P50281 2/20 0.41
MAOA P21397 2/20 0.40
PKM P14618 2/20 0.39
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
NSD2 O96028 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HPGD P15428 3/20 0.38
CASP3 P42574 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
SCHEMBL2273283 0.95 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2272381 0.81 ACE2 (0.47) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2274343 0.81 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2273092 0.79 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2269186 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2269057 0.79 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2274863 0.79 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2268881 0.78 PTPRC (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2274384 0.78 MAPT (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2270395 0.77 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 4724/4885ALDH1A1 1020/4885SMN1; SMN2 3794/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS MAPT 4820/4885ALDH1A1 337/4885SMN1; SMN2 4307/4885

“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.