SCHEMBL2272135

SCHEMBL2272135

Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCN(c4ccccc4F)CC3)ccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TSHR P16473 6/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 5/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL2271547 0.94 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10KMT2ANPSR1
SCHEMBL2276485 0.88 DRD4 (0.55) ALDH1A1TSHRHSD17B10KMT2ANPSR1
SCHEMBL2276406 0.88 DRD4 (0.55) ALDH1A1TSHRKMT2ANPSR1LMNA
SCHEMBL2270026 0.88 MEN1 (0.50) ALDH1A1TSHRHSD17B10KMT2ALMNA
SCHEMBL2276421 0.87 MEN1 (0.48) ALDH1A1KMT2ALMNACYP2C19MEN1
SCHEMBL2267970 0.86 LMNA (0.53) ALDH1A1TSHRKMT2ALMNAMEN1
SCHEMBL2275626 0.86 MAPT (0.54) ALDH1A1KMT2ANPSR1LMNAMEN1
SCHEMBL2270372 0.85 DRD2 (0.49) ALDH1A1TSHRHSD17B10KMT2ACYP1A2
SCHEMBL2270415 0.85 HSD17B10 (0.47) ALDH1A1TSHRHSD17B10KMT2ANPSR1
SCHEMBL2270132 0.84 TERT (0.53) ALDH1A1TSHRKMT2ALMNACYP2C19

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 ALDH1A1 1020/4885TSHR 3925/4885HSD17B10 455/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS ALDH1A1 337/4885TSHR 4495/4885HSD17B10 371/4885

“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.