SCHEMBL712444

SCHEMBL712444

O=C(CCCl)Nc1ccc2c(c1NC(=O)CCCl)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 12/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48
SMARCA2 P51531 1/20 0.48
NSD2 O96028 1/20 0.46
BLM P54132 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP14 P50281 1/20 0.44
MAOA P21397 1/20 0.43
TDP2 O95551 1/20 0.43

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
SCHEMBL2267954 0.96 TERT (0.47) TERTMAPTMEN1KMT2APOLB
SCHEMBL12393823 0.92 TERT (0.48) TERTMAPTMEN1KMT2APOLB
SCHEMBL12393966 0.89 SMN1; SMN2 (0.47) TERTMAPTMEN1KMT2APOLB
SCHEMBL2267203 0.89 TERT (0.45) TERTMAPTMEN1KMT2APOLB
SCHEMBL6367460 0.86 TERT (0.65) TERTMAPTMEN1KMT2APOLB
SCHEMBL30237734 0.86 TERT (0.65) TERTMAPTMEN1KMT2APOLB
SCHEMBL8700766 0.85 MEN1 (0.64) TERTMAPTMEN1KMT2APOLB
SCHEMBL2269177 0.81 CASP3 (0.48) TERTMAPTMEN1KMT2APOLB
SCHEMBL8707594 0.80 TERT (0.68) TERTMAPTMEN1KMT2APOLB
SCHEMBL2272366 0.80 CYP1A2 (0.51) TERTMAPTMEN1KMT2APOLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 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-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US disclosed
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US disclosed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US disclosed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione 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 (3 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 3768/4885MAPT 4724/4885MEN1 485/4885
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof TERT, ACIN1, AK2 TERT 1/4885MAPT 3490/4885MEN1 678/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS TERT 3263/4885MAPT 4820/4885MEN1 847/4885

“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.