SCHEMBL6000945

SCHEMBL6000945

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)Cc4nc5ccccc5[nH]4)c3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.38
PRKCZ Q05513 2/20 0.35
BCHE P06276 1/20 0.34
PIN1 Q13526 3/20 0.34
ALDH1A1 P00352 3/20 0.33
CHRM1 P11229 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL6000684 0.88 TDP1 (0.41) TDP1PTPN1PRKCZBCHEPIN1
SCHEMBL6001153 0.88 PTPN1 (0.43) TDP1PTPN1PRKCZBCHEALDH1A1
SCHEMBL6000099 0.87 PTPN1 (0.38) TDP1PTPN1PRKCZALDH1A1KDM4E
SCHEMBL6000095 0.83 PTPN1 (0.38) PTPN1ALDH1A1
SCHEMBL6000022 0.83 TDP1 (0.40) TDP1PTPN1PRKCZBCHEPIN1
SCHEMBL6000757 0.82 PTPN2 (0.50) TDP1PTPN1PRKCZBCHEALDH1A1
SCHEMBL6000573 0.81 PTPN1 (0.43) PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL6000646 0.80 PTPN1 (0.51) TDP1PTPN1PRKCZALDH1A1
SCHEMBL5999198 0.80 PTPN1 (0.42) PTPN1
SCHEMBL5999157 0.77 PTPN1 (0.52) PTPN1

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 TDP1 2972/4885PTPN1 2/4885PRKCZ 569/4885

“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.