SCHEMBL13068474

SCHEMBL13068474

C=C(CCC#N)c1c(CCl)cnc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GPR3 P46089 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PREP P48147 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
ERN1 O75460 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
SCHEMBL13068569 0.80 HPGD (0.40) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13067921 0.72 ALDH1A1 (0.30) KDM4EALDH1A1GLAGAA
SCHEMBL11940537 0.72 KMT2A (0.45) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3394680 0.69 KDM4E (0.42) LMNAKMT2ASMN1; SMN2KDM4EGPR3
SCHEMBL13067974 0.68 AAK1 (0.31)
SCHEMBL13068479 0.68 KDM4E (0.33) KDM4EALDH1A1GLAGAA
SCHEMBL13068573 0.67 SLC11A2 (0.39) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11069135 0.67 MAOA (0.47) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL21758828 0.63 MAOA (0.44) LMNAMAPTKMT2AMAPK1ALDH1A1
SCHEMBL4231806 0.62 LRRK2 (0.50) LMNAMAPTMEN1KMT2AL3MBTL1

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-20100298374-A1 NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CELLCEUTIX CORPORATION (US) 2010-11-25 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-20100298374-A1 NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS NOS1, NOS2, NOS3 LMNA 1285/4885MAPT 2552/4885MEN1 2249/4885

“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.