SCHEMBL12639509

SCHEMBL12639509

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL12639681 0.99 KMT2A (0.46) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639608 0.94 EPHX2 (0.46) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639539 0.93 KMT2A (0.48) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639506 0.93 LMNA (0.47) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639503 0.92 KMT2A (0.45) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639558 0.92 KMT2A (0.44) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639536 0.92 KMT2A (0.46) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639533 0.91 POLB (0.46) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639554 0.91 EPHX2 (0.43) KMT2AMEN1EPHX2TSHRKDM4E
SCHEMBL12639584 0.90 KMT2A (0.43) KMT2AMEN1EPHX2TSHRKDM4E

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 KMT2A 3789/4885MEN1 70/4885EPHX2 221/4885

“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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