SCHEMBL12672209

SCHEMBL12672209

O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PRNP P04156 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12672320 0.91 TDP1 (0.57) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL12672203 0.89 MAPT (0.51) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1888032 0.89 CYP1A2 (0.51) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1568589 0.88 MAPT (0.54) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL15189209 0.88 MAPT (0.54) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL12639366 0.88 ALDH1A1 (0.49) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL12672326 0.87 MAPT (0.53) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1886649 0.87 MAPT (0.53) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1886459 0.87 MAPT (0.53) TDP1ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1567018 0.87 MAPT (0.48) TDP1ALDH1A1L3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
WO-2009150248-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS CYTOMICS SYSTEMS (FR) 2009-12-17 — — WO 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 TDP1 3514/4885ALDH1A1 179/4885L3MBTL1 3467/4885

“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.

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