SCHEMBL4424640

SCHEMBL4424640

N#CC(C#N)CC(CCC1OCCO1)OCCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 5/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSC P53634 1/20 0.32
DRD4 P21917 2/20 0.32
CYP19A1 P11511 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL7428125 0.68 DRD4 (0.47) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4424637 0.66 MEN1 (0.40) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL8670850 0.64 MAOA (0.38) MEN1KMT2ACTSCCYP19A1CYP11B1
SCHEMBL8528073 0.63 TDP1 (0.48)
SCHEMBL7266929 0.62 DRD4 (0.45) DRD4
SCHEMBL8935841 0.61 TSHR (0.48) MEN1KMT2A
SCHEMBL10042379 0.59 RIPK1 (0.46) MEN1KMT2A
SCHEMBL27569840 0.59 TDP1 (0.46)
SCHEMBL28715513 0.59 CA1 (0.48)
SCHEMBL7859396 0.59 LTA4H (0.56) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973404-B1 MALONONITRILE COMPOUNDS MERIAL INC (US) 2015-10-28 EP claimed
US-20090326012-A1 Malononitrile Compounds MERIAL, INC. 2009-12-31 US claimed
EP-1973404-B1 MALONONITRILE COMPOUNDS MERIAL INC (US) 2015-10-28 EP disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed
WO-1993023385-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1993-11-25 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-20090326012-A1 Malononitrile Compounds NR0B2, NR2C2, NR0B1 MEN1 3641/4885KMT2A 3154/4885CTSS 2342/4885

“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.