SCHEMBL4582989

SCHEMBL4582989

COc1ccc(N2CCN(C(=O)C=C3c4ccccc4C(=O)c4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 4/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
AKR1C3 P42330 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
GFER P55789 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4797387 0.90 ACHE (0.46) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL20456543 0.76 L3MBTL1 (0.68) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL14273445 0.75 ALDH1A1 (0.52) L3MBTL1MAPTALDH1A1HTTKMT2A
SCHEMBL15266902 0.73 L3MBTL1 (0.63) L3MBTL1MAPTALDH1A1MAPK1KMT2A
SCHEMBL27976453 0.73 AKR1C3 (0.85) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL4582126 0.72 AR (0.51) MAPTALDH1A1KMT2AMEN1
SCHEMBL21852247 0.72 ALDH1A1 (0.63) L3MBTL1MAPTALDH1A1MAPK1KMT2A
SCHEMBL632352 0.72 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL4182066 0.72 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL2767534 0.71 DRD2 (0.81) L3MBTL1MAPTALDH1A1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897864-A1 Anthracene derivatives and the use thereof for treating benign and malignant tumors AEterna Zentaris GmbH (DE) 2008-03-12 EP claimed
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US claimed
EP-1897864-A1 Anthracene derivatives and the use thereof for treating benign and malignant tumors AEterna Zentaris GmbH (DE) 2008-03-12 EP disclosed
EP-1897864-A1 Anthracene derivatives and the use thereof for treating benign and malignant tumors AEterna Zentaris GmbH (DE) 2008-03-12 EP disclosed
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US disclosed
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US disclosed
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US disclosed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO 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 (1 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-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS TUBB1, TUBA1C, TUBB3 L3MBTL1 4086/4885MAPT 85/4885ALDH1A1 1992/4885

“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.