SCHEMBL6834989

SCHEMBL6834989

CC(C(=O)Nc1ccc(C(=O)N2CCCC2)c(C(F)(F)F)c1)c1cc(CN)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLG P00747 5/20 0.36
KLK1 P06870 5/20 0.36
KLK6 Q92876 5/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.36
NPY2R P49146 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
MAPK14 Q16539 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL6820142 0.85 CYP2C9 (0.39) SMN1; SMN2NPSR1NPY2RMAPTMAPK14
SCHEMBL2995346 0.85 F10 (0.44) SMN1; SMN2NPSR1HSD11B1
Hydrochloric Acid SCHEMBL7524480 0.84 F10 (0.43) SMN1; SMN2NPSR1HSD11B1
SCHEMBL6823073 0.76 KLKB1 (0.36) SMN1; SMN2MAPK14METCYP2C9CYP2C19
SCHEMBL3000890 0.73 F9 (0.45) SMN1; SMN2
Hydrochloric Acid SCHEMBL6841650 0.73 F9 (0.45) SMN1; SMN2
SCHEMBL7525875 0.72 F10 (0.47) SMN1; SMN2PLGKMT2AHSD11B1TSHR
Hydrochloric Acid SCHEMBL7526160 0.72 F10 (0.46) SMN1; SMN2PLGKMT2AHSD11B1TSHR
SCHEMBL7528831 0.71 F10 (0.46) SMN1; SMN2PLGKMT2AHSD11B1TSHR
SCHEMBL6819736 0.70 F10 (0.43) PLGKLKB1

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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 SMN1; SMN2 2115/4885NPSR1 1173/4885PLG 17/4885

“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.