SCHEMBL6000954

SCHEMBL6000954

CCCC(CCC)c1ccc(N(Cc2ccc3nc(-c4csc(COc5cncc(C(=O)O)c5)n4)oc3c2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
MAPT P10636 2/20 0.33
F2RL3 Q96RI0 5/20 0.31
HDAC6 Q9UBN7 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5999470 0.88 PTPN1 (0.49) PTPN1PTPN2MAPT
SCHEMBL5999251 0.82 PTPN1 (0.44) PTPN1PTPN2MAPT
SCHEMBL5999210 0.80 PTPN1 (0.35) PTPN1PTPN2HDAC6
SCHEMBL6000881 0.79 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL6001098 0.79 PTPN2 (0.50) PTPN1PTPN2MAPT
SCHEMBL6000895 0.79 PTPN2 (0.50) PTPN1PTPN2MAPT
SCHEMBL6000948 0.78 PTPN2 (0.48) PTPN1PTPN2
SCHEMBL6001024 0.78 PTPN2 (0.44) PTPN1PTPN2MAPT
SCHEMBL4728519 0.77 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL6000736 0.77 PTPN2 (0.47) PTPN1PTPN2

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 2/4885PTPN2 11/4885MAPT 4785/4885

“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.