SCHEMBL21768337

SCHEMBL21768337

O=C(O)NCC(=CF)C(O)c1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.42
▸ PARP1 P09874 6/20 0.42
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ PARP11 Q9NR21 5/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ F11 P03951 3/20 0.33
▸ KLKB1 P03952 3/20 0.33
▸ CTSC P53634 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21768121 0.92 PARP10 (0.42) PARP10PARP1PARP11PDPK1
SCHEMBL28513382 0.86 PARP1 (0.38) PARP10PARP1F7F3CD274
SCHEMBL28901217 0.81 PARP10 (0.42) PARP10PARP1F7F3PARP11
SCHEMBL28658786 0.79 PARP11 (0.37) PARP10PARP1PARP11
SCHEMBL28499172 0.79 PARP11 (0.37) PARP10PARP1PARP11
SCHEMBL28655211 0.79 PARP11 (0.37) PARP10PARP1PARP11
SCHEMBL21768178 0.78 CYP26A1 (0.33) —
SCHEMBL21768338 0.74 AOC3 (0.43) PARP10PARP1F7F3
SCHEMBL28979238 0.74 KCNH2 (0.42) CTSC
SCHEMBL28901241 0.72 PARP11 (0.40) PARP10PARP1PARP11PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 — — US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 — — EP 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 PARP10 2655/4885PARP1 2532/4885F7 1684/4885

“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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