SCHEMBL6000357

SCHEMBL6000357

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
POLB P06746 1/20 0.33
CPB1 P15086 1/20 0.33
AGTR2 P50052 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL6001119 0.86 PTPN2 (0.46) PTPN2PTPN1CNR1CNR2MEN1
SCHEMBL6000363 0.85 CNR2 (0.35) PTPN2PTPN1CNR1CNR2MEN1
SCHEMBL6000379 0.83 PTPN2 (0.40) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6000666 0.83 PTPN1 (0.40) PTPN2PTPN1MEN1KMT2AL3MBTL1
SCHEMBL5999015 0.81 PTPN2 (0.41) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6001156 0.78 PTPN2 (0.48) PTPN2PTPN1CNR1CNR2MEN1
SCHEMBL6000427 0.78 PTPN2 (0.39) PTPN2PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL6000352 0.77 GCGR (0.36) PTPN2PTPN1CNR1CNR2MEN1
SCHEMBL6000371 0.76 MEN1 (0.36) CNR1CNR2MEN1KMT2AL3MBTL1
SCHEMBL5999114 0.74 PTPN2 (0.46) PTPN2PTPN1CNR1CNR2MEN1

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 2/4885CNR1 239/4885

“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.