SCHEMBL12639581

SCHEMBL12639581

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 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
SCHEMBL12639536 0.92 KMT2A (0.46) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL12639506 0.91 LMNA (0.47) KMT2ALMNAKDM4EEPHX2GAA
SCHEMBL12639503 0.90 KMT2A (0.45) KMT2AKDM4EEPHX2MEN1ALDH1A1
SCHEMBL12639550 0.89 GAA (0.44) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL12672265 0.89 EPHX2 (0.43) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL13579148 0.89 EPHX2 (0.43) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL12639608 0.89 EPHX2 (0.46) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL12639582 0.89 L3MBTL1 (0.49) KMT2AHTTLMNAEPHX2GAA
SCHEMBL12639558 0.88 KMT2A (0.44) KMT2AHTTLMNAKDM4EEPHX2
SCHEMBL12639586 0.88 EPHX2 (0.42) KMT2AHTTLMNAKDM4EEPHX2

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 3789/4885HTT 1971/4885LMNA 2955/4885

“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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