SCHEMBL21768103

SCHEMBL21768103

O=C(O)NCC(=CF)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 3/20 0.49
MITF O75030 1/20 0.49
STAT5A P42229 1/20 0.48
STAT5B P51692 1/20 0.48
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAOB P27338 2/20 0.47
AOC2 O75106 1/20 0.47
DAO P14920 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 2/20 0.47
PTPN1 P18031 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL21768101 1.00 KMT2A (0.53) KMT2AMEN1LMNARXFP1NPC1
SCHEMBL21780053 0.85 AOC3 (0.48) KMT2AMEN1LMNARXFP1NPC1
SCHEMBL28960141 0.82 KMT2A (0.50) KMT2AMEN1LMNARXFP1NPC1
Trifluoroacetic Acid SCHEMBL21768091 0.81 MAOB (0.60) KMT2AMEN1LMNARXFP1NPC1
Trifluoroacetic Acid SCHEMBL21768093 0.81 MAOB (0.60) KMT2AMEN1LMNARXFP1NPC1
SCHEMBL21780050 0.78 AOC3 (0.49) KMT2AMEN1RXFP1NPC1STAT5A
SCHEMBL21780049 0.76 AOC3 (0.65) KMT2AMEN1RXFP1NPC1SMN1; SMN2
SCHEMBL21780043 0.76 AOC3 (0.65) KMT2AMEN1RXFP1NPC1SMN1; SMN2
SCHEMBL15527151 0.76 MAOB (0.52) ALDH1A1SMN1; SMN2MAOBAOC2DAO
SCHEMBL15527152 0.76 MAOB (0.52) ALDH1A1SMN1; SMN2MAOBAOC2DAO

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 KMT2A 4233/4885MEN1 1946/4885LMNA 1268/4885

“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.