SCHEMBL12639455

SCHEMBL12639455

C#CC(=O)N(c1ccccc1C#N)C(C(=O)NC1CCCCC1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PRNP P04156 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL12639412 0.87 TDP1 (0.48) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639457 0.87 TDP1 (0.48) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL1881482 0.87 MAPT (0.48) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639535 0.87 MEN1 (0.51) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639517 0.87 MAPK1 (0.57) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL1568336 0.85 MEN1 (0.46) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639715 0.84 TDP1 (0.59) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639437 0.84 MEN1 (0.53) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12639415 0.84 MEN1 (0.47) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL12639486 0.84 SMN1; SMN2 (0.54) TDP1MAPTMAPK1MEN1KMT2A

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-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US 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 3514/4885MAPT 2578/4885MAPK1 3625/4885

“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.

Send feedback