SCHEMBL6000877

SCHEMBL6000877

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccc(C(C)C)cc4)c3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 7/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.35
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.34
MCL1 Q07820 2/20 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
SCHEMBL6000573 0.94 PTPN1 (0.43) LMNAPTPN1MAPTKMT2AMEN1
SCHEMBL6000145 0.85 PTPN1 (0.43) LMNAPTPN1MAPTKMT2AMEN1
SCHEMBL5999379 0.80 PTPN1 (0.43) LMNAPTPN1MAPTKMT2AMEN1
SCHEMBL6000680 0.79 PTPN1 (0.44) LMNAPTPN1MAPTKMT2AMEN1
SCHEMBL6000943 0.79 PTPN1 (0.49) LMNAPTPN1MAPTALDH1A1RAB9A
SCHEMBL5999977 0.79 PTPN2 (0.51) LMNAPTPN1MAPTKMT2AMEN1
SCHEMBL5999198 0.79 PTPN1 (0.42) PTPN1S1PR1
SCHEMBL5999157 0.78 PTPN1 (0.52) PTPN1S1PR1
SCHEMBL6000554 0.77 PTPN1 (0.42) PTPN1S1PR1CNR1CNR2
SCHEMBL6000945 0.77 TDP1 (0.41) PTPN1KMT2AALDH1A1NPSR1

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 LMNA 4522/4885PTPN1 2/4885MAPT 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.