SCHEMBL12639608

SCHEMBL12639608

C#CC(=O)N(c1cccc(C(F)(F)F)c1)C(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ MDM2 Q00987 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40

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
SCHEMBL12639539 0.94 KMT2A (0.48) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639509 0.94 KMT2A (0.45) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639506 0.94 LMNA (0.47) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639536 0.94 KMT2A (0.46) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639558 0.94 KMT2A (0.44) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639681 0.93 KMT2A (0.46) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639533 0.93 POLB (0.46) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639543 0.92 TSHR (0.44) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12672210 0.92 EPHX2 (0.42) EPHX2TSHRKMT2AMEN1KDM4E
SCHEMBL12639584 0.92 KMT2A (0.43) EPHX2TSHRKMT2AMEN1KDM4E

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 5 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
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 EPHX2 221/4885MDM2 2406/4885TSHR 3851/4885

“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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