SCHEMBL23718765

SCHEMBL23718765

CCNC(=O)Nc1ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.43
AOC3 Q16853 2/20 0.41
MAOB P27338 1/20 0.41
MTNR1B P49286 1/20 0.40
PTPN11 Q06124 1/20 0.39
IDH1 O75874 2/20 0.38
MAPT P10636 1/20 0.38
AOC2 O75106 1/20 0.38
GPR174 Q9BXC1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LMNA P02545 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL23718801 0.88 KMT2A (0.43) AOC3MAOBPTPN11MAPTMEN1
SCHEMBL23718768 0.87 NPC1 (0.44) AOC3MAOBPTPN11IDH1MAPT
SCHEMBL23329639 0.83 MAOB (0.46) AOC3MAOBMAPTAOC2LMNA
SCHEMBL21780053 0.82 AOC3 (0.48) AOC3MAOBMAPTAOC2MEN1
SCHEMBL21780050 0.81 AOC3 (0.49) AOC3MAOBMEN1KMT2AHDAC8
SCHEMBL21889843 0.81 MAOB (0.45) AOC3MAOBAOC2MEN1KMT2A
SCHEMBL21780054 0.81 AOC3 (0.50) AOC3MAOBMAPTCA12CA1
SCHEMBL23718599 0.81 AOC3 (0.50) AOC3MAOBMAPTCA12CA1
SCHEMBL21768043 0.81 AOC3 (0.50) AOC3MAOBMAPTCA12CA1
SCHEMBL23718757 0.81 AOC3 (0.55) AOC3MAOBAOC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-08-05 US 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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF VCAM1, VAPB, ICAM1 MAPKAPK2 1040/4885AOC3 796/4885MAOB 2301/4885

“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.