SCHEMBL4410032

SCHEMBL4410032

CCOC(=O)C(CCC#N)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RECQL P46063 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.38

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 0.84 HPGD (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL28704182 0.82 ALDH1A1 (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL19371277 0.80 ALDH1A1 (0.52) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL14932582 0.80 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11001818 0.75 KMT2A (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10848716 0.75 GLA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6882644 0.74 MEN1 (0.47) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL28534429 0.74 NPSR1 (0.47) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL30747027 0.74 L3MBTL1 (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10378509 0.72 MEN1 (0.40) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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 L3MBTL1 3794/4885ALDH1A1 522/4885HPGD 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.