SCHEMBL6000431

SCHEMBL6000431

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CCNc4ccccc4CC(=O)O)n3)cc2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ADRB3 P13945 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PTPN2 P17706 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SCD O00767 2/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 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
SCHEMBL6000674 0.82 PTPN1 (0.51) PTPN1MAPK1LMNAMAPTADRB3
SCHEMBL6000675 0.81 PTPN1 (0.37) PTPN1MAPTADRB3MEN1KMT2A
SCHEMBL6000635 0.79 PTPN1 (0.49) PTPN1MEN1KMT2APTPN2GCGR
SCHEMBL6000925 0.79 PTPN1 (0.43) PTPN1MAPK1MAPTADRB3MEN1
SCHEMBL6000460 0.78 PTPN1 (0.40) PTPN1MAPK1LMNAMAPTADRB3
SCHEMBL6000911 0.78 PTPN1 (0.40) PTPN1MAPK1LMNAMAPTADRB3
SCHEMBL4726316 0.77 PTPN1 (0.38) PTPN1LMNAMAPTADRB3MEN1
SCHEMBL6000680 0.77 PTPN1 (0.44) PTPN1MAPK1LMNAMAPTADRB3
SCHEMBL6000424 0.77 PTPN1 (0.41) PTPN1MAPTADRB3MEN1KMT2A
SCHEMBL5999065 0.77 PTPN1 (0.46) PTPN1ADRB3MEN1KMT2APTPN2

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 PTPN1 2/4885MAPK1 531/4885LMNA 4522/4885

“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.