SCHEMBL951328

SCHEMBL951328

CC(=C(C#N)C#N)c1ccc2cc(NCCCO)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MAPT P10636 1/20 0.49
SNCA P37840 1/20 0.49
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
MERTK Q12866 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
PRSS1 P07477 5/20 0.32
HPGD P15428 2/20 0.32
ABL1 P00519 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31

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
SCHEMBL3468916 0.90 MAPT (0.55) APPMAPTSNCAALDH1A1GAA
SCHEMBL17254448 0.88 MAPT (0.44) APPMAPTSNCAALDH1A1GAA
SCHEMBL17254449 0.86 MAPT (0.49) APPMAPTSNCAALDH1A1GAA
SCHEMBL19852804 0.83 MAPT (0.48) APPMAPTSNCAALDH1A1HTT
SCHEMBL17254446 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL4977529 0.77 ENPP2 (0.40) APPMAPTSNCAALDH1A1GAA
SCHEMBL16366898 0.75 PLAU (0.47) ALDH1A1GAAPOLBMERTKKCNH3
SCHEMBL14527673 0.72 MAPT (0.55) APPMAPTSNCAALDH1A1KDM4E
SCHEMBL15596831 0.70 MAPT (0.54) APPMAPTSNCAALDH1A1KDM4E
SCHEMBL17472245 0.70 MAPT (0.53) APPMAPTSNCAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186423-B1 Compound of radiocontrast agent for tau protein Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2015-11-17 US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
EP-2454216-A1 NON-POLAR AND POLAR LEAVING GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
WO-2011006610-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO 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-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS PGLS, RABGGTB, LNPEP APP 1597/4885MAPT 3744/4885SNCA 2394/4885

“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.