SCHEMBL4662980

SCHEMBL4662980

[NH]C(=O)CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
NPY5R Q15761 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6573723 0.82 FFAR1 (0.52) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL333186 0.80 FFAR1 (0.70) FFAR1LMNANPY5RTDP1ALDH1A1
SCHEMBL1677975 0.78 ALDH1A1 (0.63) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL26111039 0.78 FFAR1 (0.68) FFAR1LMNANPY5RTDP1ALDH1A1
SCHEMBL660683 0.78 LOXL2 (0.52) FFAR1LMNALOXL2NPY5RTDP1
Hydrochloric Acid SCHEMBL8937697 0.78 FFAR1 (0.68) FFAR1LMNANPY5RTDP1ALDH1A1
SCHEMBL9706507 0.78 FFAR1 (0.49) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL4940547 0.78 HSD17B10 (0.46) FFAR1LOXL2TDP1CYP1A2CYP3A4
SCHEMBL5943952 0.77 CYP19A1 (0.48) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL468378 0.77 KEAP1 (0.67) FFAR1TDP1ALDH1A1SMN1; SMN2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096933-A1 4-Pyridinylethylcarboxamide Derivatives Useful as Fungicides BAYER CROPSCIENCE S.A. (FR) 2008-04-24 US disclosed
EP-1771439-A1 4-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES Bayer CropScience S.A. (FR) 2007-04-11 EP disclosed
WO-2006008193-A1 4-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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-20080096933-A1 4-Pyridinylethylcarboxamide Derivatives Useful as Fungicides CYP4X1, CYP4Z1, CYP4B1 FFAR1 2338/4885LMNA 2821/4885LOXL2 2756/4885

“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.