SCHEMBL22927152

SCHEMBL22927152

CCOC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.75
KCNQ3 O43525 6/20 0.75
KCNQ4 P56696 3/20 0.75
KCNQ5 Q9NR82 3/20 0.75
HDAC1 Q13547 4/20 0.52
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
TBXA2R P21731 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL3890111 0.87 KCNQ2 (0.78) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL15357224 0.86 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL29359156 0.86 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL20835 0.86 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL4054750 0.86 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL20129836 0.86 KCNQ2 (0.83) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL154715 0.85 KCNQ2 (0.98) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
Ezogabine SCHEMBL155918 0.85 KCNQ2 (0.98) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL20133972 0.84 KCNQ2 (0.79) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL3892093 0.83 KCNQ2 (0.79) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369593-B2 Functionalized pyridine carbamates with enhanced neuroprotective activity TEXAS TECH UNIVERSITY SYSTEM (US) 2022-06-28 US disclosed
US-20210023064-A1 Functionalized Pyridine Carbamates with Enhanced Neuroprotective Activity TEXAS TECH UNIVERSITY SYSTEM 2021-01-28 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 (2 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-20210023064-A1 Functionalized Pyridine Carbamates with Enhanced Neuroprotective Activity BDNF, CHRNA5, CHRNA4 KCNQ2 783/4885KCNQ3 852/4885KCNQ4 714/4885
US-11369593-B2 Functionalized pyridine carbamates with enhanced neuroprotective activity BDNF, CHRNA5, CHRNA4 KCNQ2 783/4885KCNQ3 852/4885KCNQ4 714/4885

“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.