SCHEMBL2270326

SCHEMBL2270326

Cc1cc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 7/20 0.44
PKM P14618 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 7/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.40
MMP14 P50281 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
SCHEMBL2274854 0.84 ALDH1A1 (0.55) HPGDSMN1; SMN2KMT2AMEN1HTT
SCHEMBL12393966 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL2274338 0.81 CASP3 (0.46) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2268871 0.80 PTPRC (0.48) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2269050 0.80 ALDH1A1 (0.44) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL2274346 0.80 KMT2A (0.47) HPGDSMN1; SMN2KMT2AMEN1HTT
SCHEMBL2272366 0.80 CYP1A2 (0.51) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL6420345 0.79 HPGD (0.59) HPGDSMN1; SMN2KMT2AMEN1HTT
SCHEMBL2270337 0.79 HPGD (0.46) HPGDSMN1; SMN2KMT2AMEN1HTT
SCHEMBL2270061 0.78 PTPRC (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1PKM

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 8 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-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-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 HPGD 140/4885SMN1; SMN2 3794/4885KMT2A 3021/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS HPGD 171/4885SMN1; SMN2 4307/4885KMT2A 2601/4885

“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.