SCHEMBL6000662

SCHEMBL6000662

CCCC(CCC)c1ccc(Cn2c(-c3csc(CN4CCc5ccc(C(=O)O)cc5C4)n3)nc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
LTA4H P09960 1/20 0.39
PPARG P37231 2/20 0.39
HRH3 Q9Y5N1 7/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL5999945 0.85 CA12 (0.39) LTA4HPPARGHDAC1HDAC6POLB
SCHEMBL6000530 0.84 PPARG (0.42) AGTR1AGTR2PPARGHRH3BRD4
SCHEMBL6000961 0.84 AGTR1 (0.43) AGTR1AGTR2LTA4HPPARGHRH3
SCHEMBL6000482 0.80 PTPN2 (0.53)
SCHEMBL5999795 0.70 RXRA (0.43) AGTR1AGTR2
SCHEMBL6000162 0.70 CA12 (0.41) HDAC1HDAC6
SCHEMBL6001025 0.68 BRD4 (0.48) HDAC1BRD4
SCHEMBL6000405 0.67 FFAR1 (0.45) LTA4HPOLB
SCHEMBL6000526 0.66 CA12 (0.39) LTA4HHDAC1HDAC6
SCHEMBL6000599 0.65 PTPN2 (0.37) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 AGTR1 356/4885AGTR2 505/4885LTA4H 1888/4885

“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.