SCHEMBL3783043

SCHEMBL3783043

O=C1c2ccccc2C(=O)N1CCC(C(=O)O)(C(=O)O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 7/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL6605779 0.89 HPGD (0.46) HPGDGLAGAAMAPTCYP2C9
SCHEMBL6882644 0.78 MEN1 (0.47) HPGDGAAMAPTCYP2C9CYP2C19
SCHEMBL6606281 0.76 KMT2A (0.54) HPGDGLAGAAMAPTCYP2C9
SCHEMBL29000040 0.75 LMNA (0.53) HPGDGLAGAAKMT2ALMNA
SCHEMBL3779398 0.74 KMT2A (0.52) HPGDGLAGAAMAPTALDH1A1
SCHEMBL783445 0.74 GLA (0.55) HPGDGLAGAAMAPTCYP2C9
SCHEMBL3926835 0.74 HPGD (0.42) HPGDGLAGAAMAPTCYP2C9
SCHEMBL6160194 0.73 KMT2A (0.53) HPGDGLAGAAMAPTCYP2C9
SCHEMBL783555 0.71 KMT2A (0.48) HPGDGLAGAAMAPTCYP2C9
SCHEMBL16711760 0.70 HPGD (0.50) HPGDGLAGAAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES CYP51A1, CYP1A2, CYP3A7 HPGD 2611/4885GLA 410/4885GAA 38/4885

“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.