SCHEMBL6000424

SCHEMBL6000424

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(C)[C@H](C(=O)O)c4ccccc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR4A2 P43354 1/20 0.37
PTPN2 P17706 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 5/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB3 P13945 2/20 0.33
OXTR P30559 1/20 0.33
S1PR1 P21453 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL6000667 0.89 PTPN1 (0.45) PTPN1MEN1KMT2ANR4A2PTPN2
SCHEMBL5999860 0.84 PTPN2 (0.45) PTPN1MEN1KMT2ANR4A2PTPN2
SCHEMBL5999858 0.84 PTPN2 (0.45) PTPN1MEN1KMT2ANR4A2PTPN2
SCHEMBL6000635 0.84 PTPN1 (0.49) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL5999061 0.83 PTPN1 (0.47) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL5999055 0.83 PTPN1 (0.47) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL5999896 0.82 PTPN1 (0.40) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL6000666 0.82 PTPN1 (0.40) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL4726316 0.82 PTPN1 (0.38) PTPN1MEN1KMT2APTPN2L3MBTL1
SCHEMBL6000911 0.80 PTPN1 (0.40) PTPN1MEN1KMT2APTPN2L3MBTL1

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 2/4885MEN1 4550/4885KMT2A 3203/4885

“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.