SCHEMBL12639628

SCHEMBL12639628

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ GAA P10253 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMYD3 Q9H7B4 1/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL15189122 0.85 KMT2A (0.61) MEN1KMT2ANPSR1GAAHTT
SCHEMBL1883814 0.84 KMT2A (0.60) MEN1KMT2ANPSR1GAAHTT
SCHEMBL1567888 0.77 EPHX2 (0.47) MEN1KMT2ANPSR1GAAHTT
SCHEMBL12639506 0.76 LMNA (0.47) MEN1KMT2ANPSR1GAAMAPT
SCHEMBL12639608 0.76 EPHX2 (0.46) MEN1KMT2ANPSR1GAAHTT
SCHEMBL9849508 0.76 SMYD3 (0.75) MEN1KMT2ANPSR1HTTMAPT
SCHEMBL12639573 0.75 EPHX2 (0.45) MEN1KMT2ANPSR1GAAHTT
SCHEMBL12639550 0.75 GAA (0.44) MEN1KMT2ANPSR1GAAHTT
SCHEMBL12639520 0.75 EPHX2 (0.44) EPHX2
SCHEMBL12639509 0.75 KMT2A (0.45) MEN1KMT2ANPSR1HTTLMNA

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 MEN1 70/4885KMT2A 3789/4885NPSR1 1908/4885

“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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