SCHEMBL21780096

SCHEMBL21780096

O=C(c1ccc(O)c(F)c1)N1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.67
HSP90AA1 P07900 3/20 0.67
HSP90AB1 P08238 2/20 0.67
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
HSP90B1 P14625 5/20 0.58
TRAP1 Q12931 5/20 0.58
LMNA P02545 1/20 0.55
NAMPT P43490 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL23351380 0.83 HSP90AA1 (0.62) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL21780055 0.83 TRAP1 (0.58) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL382768 0.81 HSP90AA1 (1.00) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL382173 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1
SCHEMBL3455489 0.79 HPGD (0.65) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL4511791 0.78 HSP90AA1 (0.60) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL4279383 0.78 HPGD (0.73) HPGDALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL30277860 0.78 HPGD (0.73) HPGDALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL13117434 0.76 HPGD (0.60) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL12459664 0.76 CA1 (0.70) HPGDHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2

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 HPGD 1736/4885HSP90AA1 2419/4885HSP90AB1 2059/4885

“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.