SCHEMBL20113814

SCHEMBL20113814

CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2ccccc2)ccc1=O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.73
POLB P06746 4/20 0.57
MAPT P10636 7/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRM5 P41594 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20113811 0.94 TP53 (0.64) TP53POLBMAPTLMNATHRB
SCHEMBL20113815 0.91 TP53 (0.60) TP53POLBMAPTLMNATHRB
SCHEMBL20114216 0.89 TP53 (0.59) TP53POLBMAPTLMNATHRB
SCHEMBL20113806 0.89 TP53 (0.59) TP53POLBMAPTLMNATHRB
SCHEMBL20113812 0.88 TP53 (0.57) TP53POLBMAPTLMNATHRB
SCHEMBL20114219 0.87 TP53 (0.56) TP53POLBMAPTLMNATHRB
SCHEMBL20114220 0.86 TP53 (0.55) TP53POLBMAPTLMNATHRB
SCHEMBL20113831 0.86 TP53 (0.56) TP53POLBMAPTLMNATHRB
SCHEMBL20113800 0.86 TP53 (0.56) TP53POLBMAPTLMNATHRB
SCHEMBL20120057 0.85 TP53 (0.54) TP53POLBMAPTLMNATHRB

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 2421/4885POLB 3064/4885MAPT 4874/4885

“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.