SCHEMBL11947263

SCHEMBL11947263

[C-]#[N+]/C(C#N)=C(/C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PARP10 Q53GL7 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SRD5A2 P31213 1/20 0.46
GUSB P08236 1/20 0.45

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
SCHEMBL2472819 0.82 MAOB (0.60) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL124544 0.80 ESR1 (0.41) LMNACYP1A2CYP2C19PTGS2SMN1; SMN2
SCHEMBL27935593 0.77 MAOB (0.70) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL978700 0.76 NR4A2 (0.68) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL2475097 0.71 MAOB (0.54) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL9395985 0.71 MAOB (0.66) MAOBNR4A1NR4A2NR4A3PARP10
Benzylphenylether SCHEMBL27762453 0.71 MAOB (0.71) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL16886111 0.71 MAOB (0.53) MAOBNR4A2SRD5A2GUSB
SCHEMBL8593174 0.71 ALDH1A1 (0.50) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL8593172 0.71 ALDH1A1 (0.50) MAOBNR4A1NR4A2NR4A3PARP10

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-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 MAOB 462/4885NR4A1 1457/4885NR4A2 1057/4885

“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.