SCHEMBL4424637

SCHEMBL4424637

N#CC(C#N)(CCOCCc1ccccc1)CCC1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 2/20 0.34
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32
CUL4A Q13619 1/20 0.32

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
Hydrochloric Acid SCHEMBL8671097 0.76 HRH3 (0.39) HRH3DRD2DRD4OPRM1DRD3
SCHEMBL8669673 0.74 DRD2 (0.37) MEN1KMT2ADRD2DRD4SMN1; SMN2
SCHEMBL7428125 0.69 DRD4 (0.47) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL5752231 0.66 KCNA3 (0.36) MEN1KMT2ADRD2DRD4SMN1; SMN2
SCHEMBL4424640 0.66 MEN1 (0.36) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL11587635 0.66 MEN1 (0.81) MEN1KMT2ADRD4TAAR1
SCHEMBL8935841 0.66 TSHR (0.48) MEN1KMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL198134 0.65 TSHR (0.52) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL26604377 0.64 MEN1 (0.51) MEN1KMT2AHRH3TSHRACACB
SCHEMBL7357672 0.64 CCR1 (0.40) MEN1KMT2AOPRM1

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 3154/4885HRH3 17/4885

“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.