SCHEMBL2267970

SCHEMBL2267970

Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCCC3)ccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TERT O14746 2/20 0.44
TSHR P16473 1/20 0.43
MAPK10 P53779 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
SCHEMBL2275626 0.99 MAPT (0.54) LMNAMAPTHPGDNPC1RAB9A
SCHEMBL2276421 0.92 MEN1 (0.48) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2270132 0.91 TERT (0.53) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL2269876 0.91 MAPT (0.43) LMNAMAPTHPGDNPC1RAB9A
SCHEMBL2270415 0.91 HSD17B10 (0.47) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2270026 0.90 MEN1 (0.50) LMNAMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL2270372 0.87 DRD2 (0.49) MAPTALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL2272387 0.87 MAPT (0.40) LMNAMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL2272135 0.86 ALDH1A1 (0.55) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2269316 0.86 KMT2A (0.59) LMNAMAPTALDH1A1SMN1; SMN2POLB

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 LMNA 923/4885MAPT 4724/4885HPGD 140/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS LMNA 1372/4885MAPT 4820/4885HPGD 171/4885

“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.