SCHEMBL6285932

SCHEMBL6285932

CCCCCc1ccc(CCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
CASP3 P42574 1/20 0.51
CES1 P23141 1/20 0.51
CDC25A P30304 1/20 0.51

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
SCHEMBL6283360 0.98 TDP1 (0.71) TDP1L3MBTL1MEN1KMT2ACES1
SCHEMBL2054495 0.97 TDP1 (0.73) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6283135 0.95 TDP1 (0.66) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL6284063 0.87 MEN1 (0.56) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL29418113 0.86 ALDH1A1 (0.67) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL45324 0.86 ALDH1A1 (0.67) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6283369 0.86 TDP1 (0.58) TDP1L3MBTL1MEN1KMT2ACASP3
SCHEMBL6284376 0.86 TDP1 (0.58) TDP1L3MBTL1MEN1KMT2ACASP3
SCHEMBL9220253 0.85 TDP1 (0.76) TDP1L3MBTL1CASP3
SCHEMBL23731163 0.84 CES1 (0.68) TDP1L3MBTL1MEN1KMT2AALDH1A1

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 TDP1 1772/4885L3MBTL1 1502/4885MEN1 2361/4885

“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.