SCHEMBL4582569

SCHEMBL4582569

O=C1c2ccccc2C(=CC(=O)N2CCSCC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4780609 0.88 MAOA (0.44) LMNAPKMHPGDALDH1A1SMN1; SMN2
SCHEMBL14273445 0.84 ALDH1A1 (0.52) LMNAPKMRAB9AHPGDALDH1A1
SCHEMBL4582989 0.72 L3MBTL1 (0.53) LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL4981378 0.69 MEN1 (0.52) ALDH1A1
SCHEMBL4980300 0.68 MEN1 (0.50)
Darenzepine SCHEMBL996265 0.67 MEN1 (0.52) LMNAPKMRAB9AHPGDALDH1A1
SCHEMBL5620994 0.66 FAAH (0.39) RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL9431127 0.66 PTGS2 (0.52) RAB9AALDH1A1SMN1; SMN2
SCHEMBL4726272 0.65 NFE2L2 (0.48) LMNAALDH1A1
SCHEMBL4981734 0.64 CDC25A (0.47) LMNARAB9AHPGDALDH1A1SMN1; SMN2

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 LMNA 225/4885PKM 1308/4885RAB9A 711/4885

“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.