SCHEMBL6284063

SCHEMBL6284063

CCCCCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP3 P42574 3/20 0.54
ADRA1D P25100 5/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1B P35368 5/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL6284376 0.98 TDP1 (0.58) MEN1KMT2ATDP1L3MBTL1CASP3
SCHEMBL6283369 0.98 TDP1 (0.58) MEN1KMT2ATDP1L3MBTL1CASP3
SCHEMBL17260672 0.88 CASP3 (0.59) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL2054495 0.87 TDP1 (0.73) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL6285932 0.87 TDP1 (0.69) MEN1KMT2ATDP1L3MBTL1CASP3
SCHEMBL6283360 0.86 TDP1 (0.71) MEN1KMT2ATDP1L3MBTL1NR1H2
SCHEMBL3455829 0.84 TDP1 (0.55) MEN1KMT2ATDP1L3MBTL1CASP3
SCHEMBL6283135 0.82 TDP1 (0.66) TDP1L3MBTL1CASP3ALDH1A1
SCHEMBL19398817 0.81 RPS6KA2 (0.63) KMT2ACASP3ADRA1DADRA1AADRA1B
SCHEMBL8737445 0.79 CASP3 (0.65) CASP3ADRA1DADRA1AADRA1BCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM MEN1 2361/4885KMT2A 629/4885TDP1 1772/4885

“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.