SCHEMBL17026979

SCHEMBL17026979

FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSPA9 P38646 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ CYBB P04839 1/20 0.31
▸ NOX3 Q9HBY0 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31

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
SCHEMBL17027239 0.92 HSPA9 (0.36) ALDH1A1KDM4ELMNAHSPA9KMT2A
SCHEMBL5959176 0.89 KIF11 (0.43) HSPA9PARP10TDP2KIF11ABL1
SCHEMBL17026928 0.86 KMT2A (0.40) ALDH1A1KDM4EHSPA9KMT2AMEN1
SCHEMBL17133185 0.77 LRRK2 (0.36) LMNAKMT2AMEN1GAAMAPT
SCHEMBL1821657 0.73 TNKS (0.40) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL15129836 0.71 KDM1A (0.39) —
SCHEMBL20242100 0.71 MAPT (0.44) ALDH1A1HSPA9KMT2AMEN1MAPT
SCHEMBL16086806 0.71 IDO1 (0.36) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL16086793 0.71 IDO1 (0.36) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL16086684 0.71 IDO1 (0.36) ALDH1A1KMT2AMEN1GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 ALDH1A1 600/4885KDM4E 517/4885LMNA 2717/4885

“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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