SCHEMBL3221297

SCHEMBL3221297

CCCCC(CC)CNC(=O)c1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
HTT P42858 3/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAP4K1 Q92918 1/20 0.50
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 1/20 0.41
NAAA Q02083 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL22373757 0.85 TSHR (0.63) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL11300484 0.83 TSHR (0.64) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL11507133 0.83 TSHR (0.60) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL29038563 0.83 TSHR (0.60) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL8981605 0.83 TSHR (0.57) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL10596421 0.83 TSHR (0.52) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL7029216 0.81 TSHR (0.58) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL13612671 0.80 TSHR (0.57) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL13789638 0.80 TSHR (0.57) TSHRHTTGLAL3MBTL1MAP4K1
SCHEMBL22658301 0.78 TSHR (0.58) TSHRHTTGLAL3MBTL1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 TSHR 4144/4885HTT 2311/4885GLA 278/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 TSHR 2328/4885HTT 778/4885GLA 314/4885

“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.