SCHEMBL20113810

SCHEMBL20113810

CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2ccccc2Cl)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
LMNA P02545 5/20 0.50
POLB P06746 3/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
CTSA P10619 1/20 0.40
FPR2 P25090 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
F11 P03951 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
SCHEMBL20114220 0.89 TP53 (0.55) TP53LMNAPOLBMAPTALDH1A1
SCHEMBL20113814 0.85 TP53 (0.73) TP53LMNAPOLBMAPTTHRB
SCHEMBL20113817 0.85 TP53 (0.52) TP53LMNAPOLBMAPTALDH1A1
SCHEMBL20120154 0.84 TP53 (0.48) TP53LMNAPOLBMAPTTHRB
SCHEMBL20113811 0.84 TP53 (0.64) TP53LMNAPOLBMAPTTHRB
SCHEMBL20114216 0.84 TP53 (0.59) TP53LMNAPOLBMAPTTHRB
SCHEMBL20120155 0.83 TP53 (0.47) TP53LMNAPOLBMAPTTHRB
SCHEMBL21245460 0.83 TP53 (0.48) TP53LMNAPOLBMAPTALDH1A1
SCHEMBL20113812 0.82 TP53 (0.57) TP53LMNAPOLBMAPTTHRB
SCHEMBL20120159 0.82 TP53 (0.49) TP53LMNAPOLBMAPTTHRB

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-20190256474-A1 N-PHENYL-2-(3-PHENYL-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETAMIDE DERIVATIVES FOR TREATING CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2019-08-22 US disclosed
US-20190256474-A1 N-PHENYL-2-(3-PHENYL-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETAMIDE DERIVATIVES FOR TREATING CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2019-08-22 US disclosed
WO-2018081377-A1 N-PHENYL-2-(3-PHENYL-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETAMIDE DERIVATIVES FOR TREATING CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 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-20190256474-A1 N-PHENYL-2-(3-PHENYL-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETAMIDE DERIVATIVES FOR TREATING CYSTIC FIBROSIS CFTR, PKD2, CLCN2 TP53 2421/4885LMNA 3789/4885POLB 3064/4885

“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.