SCHEMBL6000787

SCHEMBL6000787

CCCC(CCC)c1ccc(Cn2cc(-c3csc(Cn4cc(C(=O)O)c5ccccc54)n3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.41
CHRM1 P11229 2/20 0.41
EGFR P00533 2/20 0.41
MET P08581 2/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA1 P30542 1/20 0.39
AHR P35869 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6000526 0.84 CA12 (0.39) CA12CA1CA9CA2EGFR
SCHEMBL6000496 0.84 PTPN2 (0.43) CA12CA1CA9CA2CHRM1
SCHEMBL6000044 0.83 CA12 (0.41) CA12CA1CA9CA2L3MBTL1
SCHEMBL6000631 0.82 ROCK2 (0.44) CA12CA1CA9CA2EGFR
SCHEMBL6000162 0.82 CA12 (0.41) CA12CA1CA9CA2EGFR
SCHEMBL5999945 0.81 CA12 (0.39) CA12CA1CA9CA2LMNA
SCHEMBL1606606 0.69 LMNA (0.80) CA12CA1CA9CA2L3MBTL1
SCHEMBL31693410 0.68 TP53 (0.67) L3MBTL1LMNACHRM1MAPK1POLB
SCHEMBL28222415 0.67 LMNA (0.68) L3MBTL1LMNACHRM1MAPK1POLB
SCHEMBL13621801 0.67 LMNA (0.68) L3MBTL1LMNACHRM1MAPK1POLB

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 CA12 2910/4885CA1 3493/4885CA9 1235/4885

“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.