SCHEMBL2268752

SCHEMBL2268752

CC(=O)N(Cl)c1ccc2c(c1NC(=O)COc1ccccc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
MMP14 P50281 1/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 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
SCHEMBL2269186 0.84 ALDH1A1 (0.43) MAPTALDH1A1THRBKDM4ETDP1
SCHEMBL2274141 0.81 MAPT (0.43) MAPTALDH1A1THRBKDM4ERAB9A
SCHEMBL2272381 0.80 ACE2 (0.47) MAPTALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL13560505 0.78 CASP3 (0.43) MAPTALDH1A1NPSR1KDM4ENPC1
SCHEMBL2268733 0.78 NPC1 (0.49) MAPTALDH1A1NPSR1THRBNPC1
SCHEMBL2268494 0.76 MAPT (0.49) MAPTALDH1A1NPSR1KDM4ENPC1
SCHEMBL2274863 0.75 ALDH1A1 (0.55) MAPTALDH1A1THRBKDM4ETDP1
SCHEMBL2273092 0.75 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2269057 0.75 ALDH1A1 (0.41) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2274343 0.75 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2MAPK1

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 1020/4885NPSR1 3666/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS MAPT 4820/4885ALDH1A1 337/4885NPSR1 3607/4885

“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.