SCHEMBL21780059

SCHEMBL21780059

COCCOc1cccc(NC(=O)c2ccc(OC/C(=C/F)CN)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
ALDH1A1 P00352 3/20 0.56
AOC3 Q16853 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
AOC2 O75106 4/20 0.52
THRB P10828 1/20 0.51
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.49
NR1H4 Q96RI1 2/20 0.48

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
SCHEMBL21845069 1.00 MAOB (0.56) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL30089445 0.94 MAOB (0.53) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21768031 0.94 MAOB (0.53) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL30089473 0.94 MAOB (0.53) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21768026 0.94 MAOB (0.53) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21768161 0.94 MAOB (0.53) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21810521 0.87 MAOB (0.52) MAOBALDH1A1AOC3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21810522 0.87 MAOB (0.52) MAOBALDH1A1AOC3CYP1A2CYP3A4
SCHEMBL21845068 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21845213 0.83 MAOB (0.57) MAOBALDH1A1AOC3CYP1A2CYP3A4

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 MAOB 60/4885ALDH1A1 71/4885AOC3 6/4885

“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.