SCHEMBL4410035

SCHEMBL4410035

CCC(C#N)(CC)CC(C(=O)O)(C(=O)O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3926835 0.79 HPGD (0.42) ALDH1A1HPGDGLAKMT2AMEN1
SCHEMBL784514 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1HPGDGLAKMT2A
SCHEMBL28704182 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1HPGDGLAKMT2A
SCHEMBL19371277 0.73 ALDH1A1 (0.52) ALDH1A1L3MBTL1HPGDKMT2AMEN1
SCHEMBL14921072 0.72 GLA (0.52) ALDH1A1HPGDGLAKMT2AMEN1
SCHEMBL4410032 0.71 L3MBTL1 (0.48) ALDH1A1L3MBTL1HPGDKMT2AMEN1
SCHEMBL14920461 0.70 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1SMN1; SMN2GAA
SCHEMBL20181887 0.69 ALDH1A1 (0.45) ALDH1A1L3MBTL1HPGDKMT2AMEN1
SCHEMBL7536561 0.68 PLAU (0.47) ALDH1A1L3MBTL1SMN1; SMN2GAACYP3A4
SCHEMBL6605779 0.67 HPGD (0.46) ALDH1A1HPGDGLAKMT2AMEN1

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-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-12-24 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-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP4B1 ALDH1A1 522/4885L3MBTL1 3794/4885HPGD 2496/4885

“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.