SCHEMBL6000363

SCHEMBL6000363

CCC(CC)CN(Cc1ccc(-c2csc(CN(C(=O)CNCC(=O)O)c3ccccc3)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GCGR P47871 5/20 0.34
GIPR P48546 5/20 0.34
LTB4R2 Q9NPC1 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6001127 0.87 PTPN2 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000357 0.85 PTPN2 (0.36) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL6000371 0.84 MEN1 (0.36) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL6000379 0.81 PTPN2 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000352 0.81 GCGR (0.36) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL5999015 0.79 PTPN2 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000427 0.76 PTPN2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6001156 0.74 PTPN2 (0.48) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL5999150 0.72 ALOX5 (0.41) NPC1RAB9ASMN1; SMN2MMP1MMP13
SCHEMBL6001119 0.72 PTPN2 (0.46) CNR2CNR1MEN1KMT2ANPC1

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 CNR2 428/4885CNR1 239/4885MEN1 4550/4885

“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.