SCHEMBL6000932

SCHEMBL6000932

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)C(=O)Nc4ccc(C)cc4)n3)cc2)C(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
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
RAB9A P51151 7/20 0.35
NPC1 O15118 5/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ADRB3 P13945 2/20 0.33
S1PR1 P21453 1/20 0.33
CASR P41180 1/20 0.33
NAMPT P43490 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
SCHEMBL6000743 0.94 PTPN1 (0.39) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL6000478 0.89 PTPN1 (0.39) PTPN2PTPN1UBE2MDCUN1D1RAB9A
SCHEMBL6000911 0.88 PTPN1 (0.40) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL5999108 0.86 HDAC1 (0.42) PTPN2PTPN1UBE2MDCUN1D1RAB9A
SCHEMBL5999977 0.85 PTPN2 (0.51) PTPN2PTPN1UBE2MDCUN1D1RAB9A
SCHEMBL6000600 0.84 PTPN2 (0.50) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL6001106 0.84 PTPN2 (0.46) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL5999379 0.84 PTPN1 (0.43) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL6000973 0.84 PTPN1 (0.49) PTPN2PTPN1UBE2MDCUN1D1RAB9A
SCHEMBL6000221 0.84 PTPN1 (0.39) PTPN2PTPN1RAB9ANPC1MAPT

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 2/4885UBE2M 4491/4885

“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.