SCHEMBL6001106

SCHEMBL6001106

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)C(=O)Nc4ccccc4)n3)cc2)CC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6001139 0.90 PTPN2 (0.51) PTPN2PTPN1HDAC6HDAC1MEN1
SCHEMBL5999114 0.89 PTPN2 (0.46) PTPN2PTPN1HDAC6HDAC1MEN1
SCHEMBL6000608 0.87 HDAC1 (0.44) PTPN2PTPN1HDAC6HDAC1MEN1
SCHEMBL6000050 0.85 PTPN2 (0.50) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6000765 0.85 PTPN2 (0.64) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000932 0.84 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6001119 0.84 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6000911 0.84 PTPN1 (0.40) PTPN2PTPN1HDAC6HDAC1MEN1
SCHEMBL6001127 0.82 PTPN2 (0.42) PTPN2PTPN1HDAC6MEN1KMT2A
SCHEMBL5999108 0.81 HDAC1 (0.42) PTPN2PTPN1HDAC6HDAC1MEN1

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 2/4885HDAC6 1119/4885

“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.