SCHEMBL17027239

SCHEMBL17027239

FC(F)(F)c1ccc2c(c1)C1(CCOC1)CN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA9 P38646 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PNMT P11086 3/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ CYBB P04839 1/20 0.30
▸ NOX3 Q9HBY0 1/20 0.30
▸ NOX4 Q9NPH5 1/20 0.30

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
SCHEMBL17026979 0.92 ALDH1A1 (0.35) HSPA9ALDH1A1MEN1GAAMAPT
SCHEMBL5959176 0.81 KIF11 (0.43) HSPA9PARP10TDP2KIF11NOTUM
SCHEMBL17026928 0.81 KMT2A (0.40) HSPA9ALDH1A1MEN1GAAMAPT
SCHEMBL30861551 0.78 BACE1 (0.33) MAPTLMNA
SCHEMBL13209521 0.74 KDM1A (0.39) ALDH1A1MEN1GAAKMT2AMAPK1
SCHEMBL16086806 0.69 IDO1 (0.36) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL16086684 0.69 IDO1 (0.36) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL16086793 0.69 IDO1 (0.36) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL17133185 0.69 LRRK2 (0.36) MEN1GAAMAPTKMT2AL3MBTL1
SCHEMBL16104085 0.69 USP2 (0.41) HSPA9NOTUM

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 HSPA9 3121/4885ALDH1A1 600/4885MEN1 2882/4885

“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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