SCHEMBL3221159

SCHEMBL3221159

CC1CC(OC(=O)c2ccc(NC3=NC4=NC(Nc5ccc(C(=O)OC6CC(C)CC(C)(C)C6)cc5)=NC5=NC(Nc6ccc(C(=O)OC7CC(C)CC(C)(C)C7)cc6)=NC(=N3)N45)cc2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDH1 O75874 17/20 0.44
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 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
SCHEMBL9012418 0.82 LMNA (0.53) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909183 0.80 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909186 0.80 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910054 0.80 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910050 0.80 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910053 0.80 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL9012531 0.80 IDH1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL9590366 0.80 IDH1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13894203 0.74 LMNA (0.71) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL14089122 0.74 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP claimed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US disclosed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP disclosed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO disclosed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 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 (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-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ERCC4, XPA, CYP51A1 LMNA 860/4885ALDH1A1 221/4885CYP3A4 107/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 LMNA 1819/4885ALDH1A1 28/4885CYP3A4 202/4885

“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.