SCHEMBL2268893

SCHEMBL2268893

CC(=O)N(Cl)c1ccc2c(c1NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)c1ccccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
PSMB11 A5LHX3 6/20 0.36
PSMA7 O14818 6/20 0.36
PSMB1 P20618 6/20 0.36
PSMA1 P25786 6/20 0.36
PSMA2 P25787 6/20 0.36
PSMA3 P25788 6/20 0.36
PSMA4 P25789 6/20 0.36
PSMB8 P28062 6/20 0.36
PSMB9 P28065 6/20 0.36
PSMA5 P28066 6/20 0.36
PSMB4 P28070 6/20 0.36

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
SCHEMBL2270069 0.89 PTPRC (0.50) PTPRCALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL2272438 0.86 TP53 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2271537 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL2268881 0.80 PTPRC (0.47) PTPRCALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL2272381 0.80 ACE2 (0.47) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2274343 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2274863 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2268887 0.79 PTPRC (0.42) PTPRCCHRM2CHRM4CHRM5CHRM1
SCHEMBL2274384 0.78 MAPT (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2270337 0.78 HPGD (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E

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 4 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 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 PTPRC 3858/4885CHRM2 4873/4885CHRM4 4881/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS PTPRC 3056/4885CHRM2 4857/4885CHRM4 4871/4885

“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.