SCHEMBL6000145

SCHEMBL6000145

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccc(C(C)C)cc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 5/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GFER P55789 1/20 0.37
THRB P10828 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
SGK1 O00141 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5999379 0.95 PTPN1 (0.43) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000680 0.95 PTPN1 (0.44) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL5999977 0.94 PTPN2 (0.51) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000478 0.90 PTPN1 (0.39) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000600 0.89 PTPN2 (0.50) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000635 0.86 PTPN1 (0.49) PTPN1PTPN2KMT2AMEN1
SCHEMBL6000613 0.86 PTPN2 (0.47) PTPN1PTPN2KMT2AMEN1RAB9A
SCHEMBL5999015 0.86 PTPN2 (0.41) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000973 0.85 PTPN1 (0.49) PTPN1PTPN2LMNAMAPTKMT2A
SCHEMBL6000877 0.85 LMNA (0.41) PTPN1LMNAMAPTKMT2AMEN1

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 11/4885LMNA 4522/4885

“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.