SCHEMBL2267203

SCHEMBL2267203

O=C(CCl)Nc1ccc2c(c1NC(=O)CCCCl)C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 10/20 0.45
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
SMARCA2 P51531 1/20 0.44
NSD2 O96028 1/20 0.41
BLM P54132 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL12393823 0.96 TERT (0.48) TERTMEN1POLBKMT2AMAPT
SCHEMBL2267954 0.93 TERT (0.47) TERTMEN1POLBKMT2AMAPT
SCHEMBL12393966 0.91 SMN1; SMN2 (0.47) TERTMEN1POLBKMT2AMAPT
SCHEMBL712444 0.89 TERT (0.50) TERTMEN1POLBKMT2AMAPT
SCHEMBL2269177 0.83 CASP3 (0.48) TERTMEN1POLBKMT2AMAPT
SCHEMBL2268733 0.83 NPC1 (0.49) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL8707320 0.82 MEN1 (0.62) TERTMEN1POLBKMT2AMAPT
SCHEMBL2272366 0.82 CYP1A2 (0.51) TERTMEN1POLBKMT2AMAPT
SCHEMBL2274239 0.82 TERT (0.43) TERTMEN1POLBKMT2AMAPT
SCHEMBL2274136 0.81 L3MBTL1 (0.51) MEN1KMT2AMAPTALDH1A1BLM

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 10 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-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 TERT 3768/4885MEN1 485/4885POLB 3689/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS TERT 3263/4885MEN1 847/4885POLB 3775/4885

“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.