SCHEMBL2268488

SCHEMBL2268488

O=C(CCl)Nc1ccc2c(c1NC(=O)C1CC1)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CASP3 P42574 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 3/20 0.40
POLB P06746 3/20 0.40
TERT O14746 3/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP14 P50281 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAOA P21397 1/20 0.39
GAA P10253 1/20 0.38
DNMT1 P26358 1/20 0.38

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
SCHEMBL2273275 0.94 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12393966 0.88 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2267954 0.82 TERT (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2274239 0.81 TERT (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2272366 0.81 CYP1A2 (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2274338 0.81 CASP3 (0.46) MAPTALDH1A1SMN1; SMN2RAB9ACASP3
SCHEMBL2267203 0.80 TERT (0.45) MAPTALDH1A1SMN1; SMN2CASP3MEN1
SCHEMBL2269177 0.80 CASP3 (0.48) MAPTALDH1A1SMN1; SMN2CASP3HPGD
SCHEMBL2273084 0.78 APAF1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL712444 0.78 TERT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 MAPT 4724/4885ALDH1A1 1020/4885SMN1; SMN2 3794/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS MAPT 4820/4885ALDH1A1 337/4885SMN1; SMN2 4307/4885

“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.