SCHEMBL4319772

SCHEMBL4319772

CCOC(=O)C=C(I)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MDM2 Q00987 2/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL4319764 1.00 MAPT (0.50) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL4319766 1.00 MAPT (0.50) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL14186862 0.82 MAPT (0.53) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL1070286 0.82 MEN1 (0.53) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL13675553 0.81 MAPT (0.45) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL2205707 0.81 MAPT (0.51) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL9185269 0.81 MAPT (0.51) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL5078615 0.81 MAPT (0.51) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL9185262 0.81 MAPT (0.51) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL2205704 0.81 MAPT (0.51) MAPTLMNAMEN1KMT2ANPC1

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-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 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-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B MAPT 2415/4885LMNA 2163/4885MEN1 3904/4885

“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.