SCHEMBL6000806

SCHEMBL6000806

CN(Cc1ccccc1)c1ccc(-c2csc(CN(CC(=O)O)C(=O)Cc3csc4ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 1/20 0.36
AKR1B1 P15121 1/20 0.35
GAA P10253 1/20 0.35
CNKSR1 Q969H4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR2 O15552 2/20 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
SCHEMBL6000816 0.83 MEN1 (0.44) AKT1TP53RAB9AALDH1A1MEN1
SCHEMBL6000989 0.78 PPARG (0.43) AKT1L3MBTL1RAB9AALDH1A1MEN1
SCHEMBL6000780 0.77 MMP1 (0.49) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6000580 0.77 PTPN2 (0.36) TP53L3MBTL1RAB9AALDH1A1MEN1
SCHEMBL6000810 0.76 L3MBTL1 (0.37) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6000732 0.76 STAT3 (0.40) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6000891 0.76 MMP1 (0.41) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6000909 0.75 KMT2A (0.38) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6000750 0.75 MMP1 (0.44) L3MBTL1RAB9AMEN1KMT2AMAPT
SCHEMBL5999185 0.73 MAPT (0.41) L3MBTL1RAB9AALDH1A1MEN1KMT2A

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 AKT1 425/4885TP53 2319/4885L3MBTL1 2811/4885

“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.