SCHEMBL2276406

SCHEMBL2276406

Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCN(c4ccccc4C#N)CC3)ccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.55
DRD2 P14416 5/20 0.55
DRD3 P35462 4/20 0.55
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2A P28223 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.41

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
SCHEMBL2272135 0.88 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL2276485 0.87 DRD4 (0.55) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL2270026 0.86 MEN1 (0.50) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL2276421 0.85 MEN1 (0.48) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL2267970 0.85 LMNA (0.53) ALDH1A1KDM4ETSHRPOLBMAPT
SCHEMBL2275626 0.84 MAPT (0.54) ALDH1A1KDM4ENPSR1POLBMAPT
SCHEMBL2270372 0.84 DRD2 (0.49) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL2270415 0.84 HSD17B10 (0.47) ALDH1A1TSHRNPSR1POLBMAPT
SCHEMBL2270132 0.83 TERT (0.53) ALDH1A1KDM4ECYP3A4TSHRMAPT
SCHEMBL2269876 0.83 MAPT (0.43) ALDH1A1TSHRNPSR1POLBMAPT

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 DRD4 4359/4885DRD2 4174/4885DRD3 3905/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS DRD4 3957/4885DRD2 4132/4885DRD3 3867/4885

“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.