SCHEMBL6000953

SCHEMBL6000953

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COc4cc(C(=O)O)ccc4[N+](=O)[O-])n3)cc2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
MYC P01106 5/20 0.38
MAX P61244 4/20 0.38
PTPN2 P17706 1/20 0.36
EP300 Q09472 1/20 0.34
HIF1A Q16665 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
ALOX5 P09917 1/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 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
SCHEMBL6000472 0.88 PTPN1 (0.41) PTPN1PTPN2EP300PPARDPPARA
SCHEMBL6000167 0.85 PTPN1 (0.49) PTPN1PTPN2PPARDPPARANPC1
SCHEMBL6000020 0.84 PTPN1 (0.48) PTPN1PTPN2PPARDPPARAMAPT
SCHEMBL6000965 0.83 PTPN1 (0.40) PTPN1PTPN2PPARDPPARANPC1
SCHEMBL6000958 0.81 PTPN1 (0.44) PTPN1PTPN2PPARDPPARANPC1
SCHEMBL5999251 0.81 PTPN1 (0.44) PTPN1PTPN2PPARDPPARANPC1
SCHEMBL6000748 0.80 PTPN1 (0.42) PTPN1MYCPTPN2PPARDPPARA
SCHEMBL6000922 0.80 PTPN1 (0.41) PTPN1MYCMAXPTPN2PPARD
SCHEMBL6000284 0.80 PTPN1 (0.41) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000654 0.79 PTPN1 (0.42) PTPN1PTPN2PPARDPPARANPC1

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 2/4885MYC 1887/4885MAX 3582/4885

“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.