SCHEMBL6000680

SCHEMBL6000680

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccccc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 6/20 0.37
HTT P42858 2/20 0.37
ADRB3 P13945 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL6000145 0.95 PTPN1 (0.43) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL5999379 0.94 PTPN1 (0.43) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL6000635 0.90 PTPN1 (0.49) PTPN1PTPN2MEN1KMT2AHTT
SCHEMBL6000911 0.90 PTPN1 (0.40) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL6000925 0.89 PTPN1 (0.43) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL5999977 0.89 PTPN2 (0.51) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL6000600 0.88 PTPN2 (0.50) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL6000973 0.86 PTPN1 (0.49) PTPN1PTPN2MAPTALDH1A1MEN1
SCHEMBL6000573 0.85 PTPN1 (0.43) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL6000649 0.85 PTPN1 (0.49) PTPN1PTPN2MEN1KMT2AHTT

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.