SCHEMBL6001127

SCHEMBL6001127

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(C(=O)CNCC(=O)O)c4ccccc4)n3)cc2)CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
LTB4R2 Q9NPC1 11/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AGTR1 P30556 1/20 0.33
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
HTT P42858 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADRB3 P13945 1/20 0.31

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
SCHEMBL6000363 0.87 CNR2 (0.35) PTPN2PTPN1LTB4R2MEN1KMT2A
SCHEMBL6001119 0.86 PTPN2 (0.46) PTPN2PTPN1LTB4R2MEN1KMT2A
SCHEMBL6001133 0.84 PTPN2 (0.40) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6001106 0.82 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6001139 0.81 PTPN2 (0.51) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL5999114 0.81 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6001117 0.81 PTPN2 (0.41) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000533 0.80 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000050 0.78 PTPN2 (0.50) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000484 0.76 PTPN2 (0.47) PTPN2PTPN1LTB4R2MMP1MMP13

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 PTPN2 11/4885PTPN1 2/4885LTB4R2 742/4885

“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.