SCHEMBL6000524

SCHEMBL6000524

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN(C(=O)N(C)CC(=O)O)c4ccccc4)n3)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 5/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDR P35968 2/20 0.36
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
APP P05067 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
POLB P06746 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
SCHEMBL6000533 0.87 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000546 0.83 PTPN2 (0.55) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000475 0.82 PTPN2 (0.51) PTPN2PTPN1PPARDPPARA
SCHEMBL6001119 0.80 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000850 0.79 PTPN2 (0.54) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000492 0.77 PTPN2 (0.67) PTPN2PTPN1PPARDPPARA
SCHEMBL6000522 0.77 PTPN2 (0.44) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000539 0.75 PTPN2 (0.43) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000666 0.75 PTPN1 (0.40) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000860 0.74 PTPN2 (0.48) PTPN2PTPN1MEN1KMT2APPARD

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 2/4885MEN1 4550/4885

“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.