SCHEMBL21768175

SCHEMBL21768175

O=C(O)NCC(=CF)C(O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HDAC1 Q13547 6/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ SDCBP O00560 2/20 0.34
▸ SDC2 P34741 2/20 0.34
▸ LIPG Q9Y5X9 3/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ACACB O00763 1/20 0.33

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
SCHEMBL28901240 0.87 GAA (0.36) MEN1KMT2AHDAC1HDAC4HDAC6
SCHEMBL21768177 0.77 AOC3 (0.48) —
SCHEMBL21768121 0.71 PARP10 (0.42) —
SCHEMBL21768036 0.70 ERCC1 (0.47) MEN1KMT2AHDAC1HDAC7PRMT5
SCHEMBL21768337 0.68 PARP10 (0.42) —
SCHEMBL28978944 0.67 CMA1 (0.36) —
SCHEMBL28978954 0.67 OTUD7B (0.36) —
SCHEMBL28979238 0.67 KCNH2 (0.42) PRMT5WDR77
SCHEMBL2023150 0.66 GRM5 (0.50) MEN1KMT2AHDAC1HDAC4HDAC6
SCHEMBL21768064 0.65 MAOA (0.63) —

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 MEN1 1946/4885KMT2A 4233/4885HDAC1 2075/4885

“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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